CAS No.101-83-7,Cyclohexanamine,N-cyclohexyl- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	101-83-7
Name:	Cyclohexanamine,N-cyclohexyl-
Article Data:	258
Cas Database

Formula:	C₁₂H₂₃N
Molecular Weight:	181.321
Synonyms:	Dodecahydrodiphenylamine;N,N-Dicyclohexylamine;N-Cyclohexylcyclohexanamine;NSC 3399;Dicyclohexylamine(8CI);Aminodicyclohexane;Bis(cyclohexyl)amine;D-CHA-T;
EINECS:	202-980-7
Density:	0.912 g/cm³
Melting Point:	-2 °C
Boiling Point:	256.1 °C at 760 mmHg
Flash Point:	96.1 °C
Solubility:	1 g/L (20 °C) in water
Appearance:	Colorless liquid
Hazard Symbols:	C,N
Risk Codes:	22-34-50/53
Safety:	26-36/37/39-45-60-61
Transport Information:	UN 2565 8/PG 3
PSA:	12.03000
LogP:	3.63230

Synthetic route

: 62-53-3
aniline

A: 110-82-7
cyclohexane

B: 108-91-8
cyclohexylamine

C: 101-83-7
N-cyclohexyl-cyclohexanamine

D: 110-83-8
cyclohexene

Conditions

Conditions	Yield
With ammonia; hydrogen at 180 - 200℃;	A n/a B 98.4% C 0.08% D n/a
With hydrogen at 160 - 200℃; under 150015 Torr;	A n/a B 95.9% C 0.45% D n/a

...Expand

: 62-53-3
aniline

A: 108-91-8
cyclohexylamine

B: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With lithium hydroxide; hydrogen; 5% ruthenium/lithium aluminate In water at 150℃; under 44718.8 Torr; for 2.08333h; Product distribution / selectivity; Neat (no solvent);	A 97.1% B 1%
With lithium hydroxide; hydrogen; 5% activated charcoal-supported ruthenium catalyst In water at 150℃; under 44718.8 Torr; for 1.21667h; Product distribution / selectivity; Neat (no solvent);	A 91.8% B 5.73%
With hydrogen; 5% ruthenium/lithium aluminate at 150℃; under 44718.8 Torr; for 1.28333 - 3h; Product distribution / selectivity; Neat (no solvent);	A 89.2% B 0.08%

: dicyclohexyl-(3-methylbut-2-enyl)amine

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
Stage #1: dicyclohexyl-(3-methylbut-2-enyl)amine With 2,2'-azobis(isobutyronitrile); para-thiocresol In benzene Heating; Stage #2: With hydrogenchloride	97%
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 4h; chemoselective reaction;	95%

: 39830-56-3
N,N-dicyclohexyl-p-toluenesulfonamide

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With pyrrolidine; samarium diiodide; water In tetrahydrofuran at 20℃; Inert atmosphere;	96%
With naphthalene; tetraethylammonium bromide In N,N-dimethyl-formamide at 0℃; Inert atmosphere; Electrolysis;	96%
Stage #1: N,N-dicyclohexyl-p-toluenesulfonamide With Na/K absorbed into silica gel In tetrahydrofuran at 20℃; Inert atmosphere; Stage #2: With water In tetrahydrofuran	83%
With diammonium hydrogenphosphate In tetrahydrofuran at 20℃; Product distribution / selectivity; Cooling with ice;	80%

: 108-91-8
cyclohexylamine

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With {[(PCy3)(CO)RuH]4(μ-O)(μ-OH)2}; 4-tert-Butylcatechol In chlorobenzene at 130℃; for 16h; Glovebox; Schlenk technique; Sealed tube; chemoselective reaction;	95%
With tris(triphenylphosphine)ruthenium(II) chloride In tetrahydrofuran at 185℃; for 5h;	92%
With NiCuFeO(x) In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux;	82%

: ((E)-But-2-enyl)-dicyclohexyl-amine

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
Stage #1: ((E)-But-2-enyl)-dicyclohexyl-amine With 2,2'-azobis(isobutyronitrile); para-thiocresol In benzene Heating; Stage #2: With hydrogenchloride	95%

: N,N-dicyclohexylbenzylamine

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With formic acid; potassium hydroxide In ethanol at 70℃; for 1h;	93%
With Pd(OH)2/C In methanol for 8h; Reflux;	62%

: 108-91-8
cyclohexylamine

: 108-93-0
cyclohexanol

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With NiCuFeO(x) In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux;	92%
With lithium hydroxide In neat (no solvent) at 140℃; for 48h; Inert atmosphere;	74%
With nickel at 180 - 190℃; im Ruehrautoklaven;
With thorium dioxide at 290 - 320℃;

: 108-93-0
cyclohexanol

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With urea In 1,3,5-trimethyl-benzene at 141℃; under 760.051 Torr; for 16h; Inert atmosphere;	92%
With ammonium tetrafluroborate; sodium hydrogencarbonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] at 140℃; for 17h;	86%
With [Cp*Ir(NH3)3]I2; ammonia In water at 140℃; for 24h; Autoclave; Inert atmosphere;	85%

: N,N-dicyclohexyltrimethylmethanesulfonamide

: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; methoxybenzene In dichloromethane at 0℃; desulfonation;	92%

Raw Materials

95-47-6

4111-55-1

88-73-3

6156-08-7

60-12-8

603-34-9

51-81-0

1122-60-7

Downstream Products

108-94-1

108-91-8

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 178.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 22 (1980),p. 55.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 8; Label: Corrosive

Specification

The N,N-Dicyclohexylamine, with the CAS registry number 101-83-7, is also known as Dodecahydrodiphenylamine. It belongs to the product categories of Pharmaceutical Intermediates; Amines; C11 to C38; Nitrogen Compounds; Aliphatics Volatiles/ Semivolatiles; Alpha Sort; Chemical Class; D; DAlphabetic; DIA - DIC; Analytical Reagents for General Use; C-D, Puriss p.a.; Puriss p.a.. Its EINECS registry number is 202-980-7. This chemical's molecular formula is C₁₂H₂₃N and molecular weight is 181.31772. Its IUPAC name is called N-cyclohexylcyclohexanamine. This chemical's classification codes are Enzyme inhibitors; Mutation Data; Skin / Eye Irritant; Tumor Data.

Physical properties of N,N-Dicyclohexylamine: (1)ACD/LogP: 3.69; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.92; (7)ACD/KOC (pH 7.4): 2.15; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 57.12 cm³; (13)Molar Volume: 198.2 cm³; (14)Surface Tension: 33.1 dyne/cm; (15)Density: 0.91 g/cm³; (16)Flash Point: 96.1 °C; (17)Enthalpy of Vaporization: 49.36 kJ/mol; (18)Boiling Point: 256.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0157 mmHg at 25°C.

Preparation of N,N-Dicyclohexylamine: this chemical can be prepared by aniline. This reaction will need reagent nickel catalyst.

N,N-Dicyclohexylamine can be prepared by aniline

Uses of N,N-Dicyclohexylamine: it can be used to produce chloro-acetic acid dicyclohexylamide at temperature of 25 °C. This reaction will need reagent CH₂Cl₂ with reaction time of 12 hours. The yield is about 61%.

N,N-Dicyclohexylamine can be used to produce chloro-acetic acid dicyclohexylamide

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)NC2CCCCC2
(2)InChI: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
(3)InChIKey: XBPCUCUWBYBCDP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	500mg/kg (500mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 468, 1986.
mouse	LD50	subcutaneous	135mg/kg (135mg/kg)		Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 4, Pg. 659, 1958.
rabbit	LDLo	subcutaneous	500mg/kg (500mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Industrial and Engineering Chemistry. Vol. 29, Pg. 1247, 1937.
rat	LD50	oral	373mg/kg (373mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 468, 1986.

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