Back to Search
Molecule
Laurolactam
CAS: 947-04-6 · C12H23NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 947-04-6
- Molecular Formula
- C12H23NO
- Molecular Mass
- 197.32 g/mol
Identifiers
CAS Registry Number
947-04-6
SMILES
OC1=NCCCCCCCCCCC1
InChI Key
JHWNWJKBPDFINM-UHFFFAOYSA-N
InChI
InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
Names and Synonyms
- Laurolactam Synonym
- Azacyclotridecan-2-one Synonym
- Dodecanoic acid, 12-amino-, lactam Synonym
- Laurolactam Synonym
- ω-Laurolactam Synonym
- ω-Dodecalactam Synonym
- Dodecanolactam Synonym
- Dodecalactam Synonym
- 2-Oxododecamethylenimine Synonym
- Cyclododecalactam Synonym
- Laurinolactam Synonym
- Lauryl lactam Synonym
- Laurin lactam Synonym
- Dodecyllactam Synonym
- ω-Dodecanolactam Synonym
- 1-Aza-2-cyclotridecanone Synonym
- 12-Aminododecanoic acid lactam Synonym
- NSC 77100 Synonym
- ω-Laurinactam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Laurolactam | CAS Common Chemistry |
| Molecular Mass | 197.32 g/mol | CAS Common Chemistry |
| 197.32199999999995 g/mol | RDKit | |
| 197.322 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Laurolactam | CAS Common Chemistry |
| Canonical SMILES | O=C1NCCCCCCCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=JHWNWJKBPDFINM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-153 °C | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.8575000000000035 | RDKit |
| 3.8575 | RDKit | |
| 3.73 | chempirical lib | |
| Molar Refractivity | 61.10080000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 197.177964356 g/mol | RDKit |
| Boiling Point | 193 °C @ 0.10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 197.32 g/mol. Edit any field — others recompute live.
