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Lauramidopropylbetaine
CAS: 4292-10-8 | C19H38N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4292-10-8
Molecular Formula:
C19H38N2O3
Molecular Weight:
342.5240000000001 g/mol
Names and Synonyms:
Lauramidopropylbetaine
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxododecyl)amino]-, inner salt
Ammonium, (carboxymethyl)(3-lauramidopropyl)dimethyl-, hydroxide, inner salt
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxododecyl)amino]-, hydroxide, inner salt
(Carboxymethyl)(3-lauramidopropyl)dimethylammonium hydroxide, inner salt
Glycine, (3-lauramidopropyl)dimethylbetaine
Amphoteric L
Mackam LMB
Lauramidopropylbetaine
Lexaine LM
Monateric LMAB
Tego-Betain L 90
Softazoline LPB
Anpholex LB 2
Rewoteric AMB 12
N-(Dodecylamidopropyl)-N,N-dimethylammonium betaine
Amphitol 20AB
Empigen BR
Enagicol L 30B
Obazoline CAB
Lauroylamide propylbetaine
Lauryl amido propyl betaine
Lauroylamidopropylbetaine
Dimethyl(lauramidopropyl)betaine
Lebon 2000L
(3-Lauramidopropyl)dimethylbetaine
N-Lauroylaminopropyl-N,N-dimethyl-N-carboxymethylammonium betaine
Amphosol LB
Empigen BB/FLA
Softazoline LPB-R
Obazoline LAB
Enagicol N 30B
N,N-Dimethyl-N-dodecanoylaminopropylbetaine
Dehyton L 12
LPB 30
Genagen DAB-J
Rikabion B 300
Mackam 1200
LPB 30B
Laurylamidopropyl-N,N-dimethylacetic acid betaine
Amogen LB-C
Marpobistar LAP
CFS 559
Genagen DAB 30
Nissan Anon BDL-SF
Lauryl amide propyl betaine
LAB 30
LAB 35
Enagicol LB 30
Anpholex LB 20
Laucosol B 45
Mackam DAB-ULS
ASCO LBP
Identifiers:
SMILES:
CCCCCCCCCCCC(O)=NCCC[N+](C)(C)CC(=O)[O-]
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 342.52 g/mol | Legacy Database |
| cas-canonical-smile | O=C([O-])C[N+](C)(C)CCCNC(=O)CCCCCCCCCCC None | Legacy Database |
| LogP | 3.0802000000000014 | RDKit |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=MRUAUOIMASANKQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lauramidopropylbetaine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 342.5240000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 342.28824307599996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 16 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.72 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 98.24120000000008 | RDKit |
