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| Name |
N-(Carboxymethyl)-N,N-dimethyl-9-octadecen-1-aminium hydroxide, inner salt |
EINECS | 212-806-1 |
| CAS No. | 871-37-4 | Density | N/A |
| PSA | 40.13000 | LogP | 4.85020 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H43NO2 | Boiling Point | N/A |
| Molecular Weight | 353.58 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
9-Octadecen-1-aminium,N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt, (Z)-;9-Octadecen-1-aminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt, (Z)-;Chembetaine oleyl;Mackam OB30;N-(Carboxymethyl)-N-(cis-9-octadecenyl)dimethylammonium hydroxide innersalt;Oleyl betaine;Rikabion A 300;Standapol OLB 50;Velvetex OLB 50; |
N-(Carboxymethyl)-N,N-dimethyl-9-octadecen-1-aminium hydroxide, inner salt Specification
This chemical is called N-(Carboxymethyl)-N,N-dimethyl-9-octadecen-1-aminium hydroxide, inner salt, and it can also be named as 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt,(9Z)-. With the molecular formula of C22H43NO2, its molecular weight is 353.58. The CAS registry number of this chemical is 871-37-4.
Other characteristics of the N-(Carboxymethyl)-N,N-dimethyl-9-octadecen-1-aminium hydroxide, inner salt can be summarised as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 730.48; (6)ACD/BCF (pH 7.4): 730.59; (7)ACD/KOC (pH 5.5): 5779.36; (8)ACD/KOC (pH 7.4): 5780.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 37.3 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C[N+](CCCCCCCC\C=C/CCCCCCCC)(C)C
2.InChI: InChI=1/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25/h11-12H,4-10,13-21H2,1-3H3/b12-11-
3.InChIKey: AMRBZKOCOOPYNY-QXMHVHEDBE
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