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Molecule
Lauramidopropylbetaine
CAS: 4292-10-8 · C19H38N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4292-10-8
- Molecular Formula
- C19H38N2O3
- Molecular Mass
- 342.52 g/mol
Identifiers
CAS Registry Number
4292-10-8
SMILES
CCCCCCCCCCCC(O)=NCCC[N+](C)(C)CC(=O)[O-]
InChI Key
MRUAUOIMASANKQ-UHFFFAOYSA-N
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)
Names and Synonyms
- Lauramidopropylbetaine Synonym
- 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxododecyl)amino]-, inner salt Synonym
- Ammonium, (carboxymethyl)(3-lauramidopropyl)dimethyl-, hydroxide, inner salt Synonym
- 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxododecyl)amino]-, hydroxide, inner salt Synonym
- (Carboxymethyl)(3-lauramidopropyl)dimethylammonium hydroxide, inner salt Synonym
- Glycine, (3-lauramidopropyl)dimethylbetaine Synonym
- Amphoteric L Synonym
- Mackam LMB Synonym
- Lauramidopropylbetaine Synonym
- Lexaine LM Synonym
- Monateric LMAB Synonym
- Tego-Betain L 90 Synonym
- Softazoline LPB Synonym
- Anpholex LB 2 Synonym
- Rewoteric AMB 12 Synonym
- N-(Dodecylamidopropyl)-N,N-dimethylammonium betaine Synonym
- Amphitol 20AB Synonym
- Empigen BR Synonym
- Enagicol L 30B Synonym
- Obazoline CAB Synonym
- Lauroylamide propylbetaine Synonym
- Lauryl amido propyl betaine Synonym
- Lauroylamidopropylbetaine Synonym
- Dimethyl(lauramidopropyl)betaine Synonym
- Lebon 2000L Synonym
- (3-Lauramidopropyl)dimethylbetaine Synonym
- N-Lauroylaminopropyl-N,N-dimethyl-N-carboxymethylammonium betaine Synonym
- Amphosol LB Synonym
- Empigen BB/FLA Synonym
- Softazoline LPB-R Synonym
- Obazoline LAB Synonym
- Enagicol N 30B Synonym
- N,N-Dimethyl-N-dodecanoylaminopropylbetaine Synonym
- Dehyton L 12 Synonym
- LPB 30 Synonym
- Genagen DAB-J Synonym
- Rikabion B 300 Synonym
- Mackam 1200 Synonym
- LPB 30B Synonym
- Laurylamidopropyl-N,N-dimethylacetic acid betaine Synonym
- Amogen LB-C Synonym
- Marpobistar LAP Synonym
- CFS 559 Synonym
- Genagen DAB 30 Synonym
- Nissan Anon BDL-SF Synonym
- Lauryl amide propyl betaine Synonym
- LAB 30 Synonym
- LAB 35 Synonym
- Enagicol LB 30 Synonym
- Anpholex LB 20 Synonym
- Laucosol B 45 Synonym
- Mackam DAB-ULS Synonym
- ASCO LBP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI Key | InChIKey=MRUAUOIMASANKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Molecular Mass | 342.52 g/mol | CAS Common Chemistry |
| 342.5240000000001 g/mol | RDKit | |
| 342.524 g/mol | RDKit | |
| Canonical SMILES | O=C([O-])C[N+](C)(C)CCCNC(=O)CCCCCCCCCCC | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| Name | Lauramidopropylbetaine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.72 Ų | RDKit |
| 70.89 Ų | chempirical lib | |
| LogP | 3.0802000000000014 | RDKit |
| 3.0802 | RDKit | |
| Molar Refractivity | 98.24120000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8947 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 342.28824307599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 342.52 g/mol. Edit any field — others recompute live.
