Cas no 27593-14-2 (1-Octanaminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt)
27593-14-2 structure
Product Name:1-Octanaminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt
CAS No:27593-14-2
MF:C12H25NO2
MW:215.332403898239
CID:254876
PubChem ID:119668
Update Time:2025-04-19
1-Octanaminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanaminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt
- 2-[dimethyl(octyl)azaniumyl]acetate
- (Carboxylatomethyl)di(methyl)octylammonium
- [dimethyl(octyl)ammonio]acetate
- Ammonium, (carboxymethyl)dimethyloctyl-, hydroxide, inner salt
- Octyldimethylbetaine
- 1-octanaminium, n-(carboxymethyl)-n,n-dimethyl-, hydroxide, inner salt
- EINECS 248-551-8
- UNII-PC47TQ755C
- MACKAM OCTLS
- octyl betaine
- n-octylbetaine
- SCHEMBL3677537
- MAKAM OCTLS
- DTXSID2067323
- PC47TQ755C
- Caprylyl betaine
- (CARBOXYMETHYL)DIMETHYLOCTYLAMMONIUM HYDROXIDE, INNER SALT
- N,N-DIMETHYL-N-OCTYLGLYCINE BETAINE
- 27593-14-2
- NS00020179
- Q27286468
- 1-Octanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
-
- Inchi： 1S/C12H25NO2/c1-4-5-6-7-8-9-10-13(2,3)11-12(14)15/h4-11H2,1-3H3
- InChI Key： YPUUGRMTUUCONZ-UHFFFAOYSA-N
- SMILES： [O-]C(C[N+](C)(C)CCCCCCCC)=O
Computed Properties
- Exact Mass: 215.18865
- Monoisotopic Mass: 215.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1A^2
- XLogP3: 3.9
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 40.13
1-Octanaminium,N-(carboxymethyl)-N,N-dimethyl-, inner salt Related Literature
-
1. Thermodynamics of micellization of N-alkyl betainesP. Molyneux,C. T. Rhodes,J. Swarbrick Trans. Faraday Soc. 1965 61 1043
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