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| CAS No.: | 109-76-2 |
|---|---|
| Name: | 1,3-Diaminopropane |
| Article Data: | 86 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C3H10N2 |
| Molecular Weight: | 74.1258 |
| Synonyms: | 1,3-Diamino-n-propane;1,3-Propylenediamine;1,3-Trimethylenediamine;3-Aminopropylamine;DAP;NSC 8154;Trimethylenediamine;a,w-Propanediamine;1,3-Propanediamine; |
| EINECS: | 203-702-7 |
| Density: | 0.867 g/cm3 |
| Melting Point: | -12 °C |
| Boiling Point: | 135.5 °C at 760 mmHg |
| Flash Point: | 48.9 °C |
| Solubility: | SOLUBLE |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 T, C
|
| Risk Codes: | 10-22-24-35 |
| Safety: | 26-36/37/39-45-25-16 |
| Transport Information: | UN 2922 8/PG 2 |
| PSA: | 52.04000 |
| LogP: | 0.69450 |
| Conditions | Yield |
|---|---|
| 95% | |
| With ammonia; chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II) In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere; | |
| With chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II); ammonia In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere; |
Trimethylenediamine
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid In methanol | 89% |
2,2-dimethyl-1,1-bis(2-cyanoethyl)hydrazine
A
N1-(cyanoethyl)-1,3-propanediamine
B
1,1-dimethyl-2-(3-aminopropyl)hydrazine
C
Trimethylenediamine
D
2,2-dimethyl-1,1-bis(3-aminopropyl)hydrazine
| Conditions | Yield |
|---|---|
| With hydrogen; nickel In ethanol Catalytic hydrogenation; Further byproducts given; | A n/a B n/a C n/a D 66.2% |
A
1,2-di-(3-pyridyl)-ethane
B
3-Methylpyridine
C
chromium(III) hexahydrate cation
D
Trimethylenediamine
| Conditions | Yield |
|---|---|
| In perchloric acid Kinetics; (N2); decompn. of Cr complex in 1 M HClO4 depending on temp. under anaerobic conditions; not isolated, monitored by UV; | A 20% B 65% C n/a D n/a |
| In perchloric acid Kinetics; decompn. of Cr complex in 1 M HClO4 depending on temp. under aerobic conditions; not isolated, monitored by UV; | A 38% B 11% C n/a D n/a |
| Conditions | Yield |
|---|---|
| With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid at 45℃; |
| Conditions | Yield |
|---|---|
| With sodium-potassium alloy; butan-1-ol | |
| With ammonia; hydrogen; nickel at 90℃; under 88260.9 Torr; |
3-azidopropylamine
Trimethylenediamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride im CO2-Strom; | |
| With hydrogenchloride; tin(ll) chloride |
| Conditions | Yield |
|---|---|
| With potassium hypobromite at 0 - 60℃; |
butanediol bis-(propionitrile)ether
Trimethylenediamine
| Conditions | Yield |
|---|---|
| With ammonia; water; nickel at 100℃; Hydrogenation.unter Druck; |
pentanedioyl azide
Trimethylenediamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethanol at 100 - 110℃; |
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The 1,3-Diaminopropane is an organic compound with the formula C3H10N2. The IUPAC name of this chemical is propane-1,3-diamine. With the CAS registry number 109-76-2, it is also named as 1,3-Diamino-n-propane. The product's categories are Amines; alpha,omega-Alkanediamines; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. Besides, it is a colourless liquid, which should be stored in a cool dry and ventilated place. It can be used not only for medicine, pesticide synthesis, auxiliary materials of paper making, textile and leather industries, but also for the synthesis of epoxy curing agent.
Physical properties about 1,3-Diaminopropane are: (1)ACD/LogP: -1.42; (2)ACD/LogD (pH 5.5): -5.52; (3)ACD/LogD (pH 7.4): -5.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 23.01 cm3; (14)Molar Volume: 85.4 cm3; (15)Polarizability: 9.12×10-24cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 0.867 g/cm3; (18)Flash Point: 48.9 °C; (19)Enthalpy of Vaporization: 40.85 kJ/mol; (20)Boiling Point: 135.5 °C at 760 mmHg; (21)Vapour Pressure: 7.7 mmHg at 25°C.
Preparation: this chemical can be prepared by dibromopropane and saturated ammonia and ethanol.
Uses of 1,3-Diaminopropane: it can be used to produce 1,5-diaza-bicyclo[3.1.0]hexane at temperature of 0 °C. It will need reagent aq. HCl and NaOCl with reaction time of 24 hours.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection, keep away from sources of ignition - No smoking and avoid contact with eyes In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCN
(2)InChI: InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2
(3)InChIKey: XFNJVJPLKCPIBV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
(5)Std. InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 296mg/kg (296mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. | |
| rabbit | LD50 | skin | 200uL/kg (0.2mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 350uL/kg (0.35mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
