Basic information
- Name:
Mirataine CB
- CAS No.:
86438-79-1
- Formula:
- Unspecified
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Specification
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