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| CAS No.: | 86438-79-1 |
|---|---|
| Name: | Mirataine CB |
| Molecular Structure: | |
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| Formula: | Unspecified |
| Molecular Weight: | 342.51700 |
| Synonyms: | C19H38N2O3 |
| EINECS: | 203-490-6 |
| Density: | N/A |
| Melting Point: | N/A |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | N/A |
| Appearance: | Light Yellow Liquid |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 72.72000 |
| LogP: | 3.08020 |
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The CAS register number of Cocamidopropyl betaine is 86438-79-1. It also can be called as N-Cocamidopropyl-N,N-dimethylglycine inner salt and the systematic name about this chemical is {[3-(dodecanoylamino)propyl](dimethyl)ammonio}acetate. The molecular formula about this chemical is C19H38N2O3 and the molecular weight is 342.52.
Physical properties about Cocamidopropyl betaine are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): 0.92; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 4.09; (5)ACD/BCF (pH 7.4): 4.09; (6)ACD/KOC (pH 5.5): 141.28; (7)ACD/KOC (pH 7.4): 141.3; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 16; (11)Polar Surface Area: 57.61Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
(2)InChI: InChI=1/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
(3)InChIKey: MRUAUOIMASANKQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
(5)Std. InChIKey: MRUAUOIMASANKQ-UHFFFAOYSA-N
