Basic information
- Name:
(Carboxymethyl)dodecyldimethylammonium chloride, sodium salt
- CAS No.:
11140-78-6
- Molecular Structure:
- Formula:
- C16H33ClNNaO2
- Molecular Weight:
- 329.88
- Synonyms:
- 1-Dodecanaminium,N-(carboxymethyl)-N,N-dimethyl-, chloride, sodium salt (9CI);Amogen K;SINOTEX R2;Lauryl betaine;Sodium chloride - [dodecyl(dimethyl)ammonio]acetate (1:1:1);1-Dodecanaminium,N-(carboxymethyl)-N,N-dimethyl-, chloride, sodium salt (1:1:1);
- EINECS:
- 234-401-9
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Specification
The (Carboxymethyl)dodecyldimethylammonium chloride, sodium salt, with the CAS registry number 11140-78-6, is also known as 1-Dodecanaminium,N-(carboxymethyl)-N,N-dimethyl-, chloride, sodium salt (1:1:1). Its EINECS number is 234-401-9. This chemical's molecular formula is C16H33ClNNaO2 and molecular weight is 329.88. What's more, its systematic name is Sodium chloride - [dodecyl(dimethyl)ammonio]acetate (1:1:1).
Physical properties of (Carboxymethyl)dodecyldimethylammonium chloride, sodium salt are: (1)ACD/LogP: 0.311; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 4.04; (6)ACD/BCF (pH 7.4): 4.04; (7)ACD/KOC (pH 5.5): 140.05; (8)ACD/KOC (pH 7.4): 140.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 37.3 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Cl-].[O-]C(=O)C[N+](CCCCCCCCCCCC)(C)C
(2)Std. InChI: InChI=1S/C16H33NO2.ClH.Na/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19;;/h4-15H2,1-3H3;1H;/q;;+1/p-1
(3)Std. InChIKey: DNZYZBVDWVPWLM-UHFFFAOYSA-M
