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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
Names and Synonyms:
Laurolactam
Azacyclotridecan-2-one
Dodecanoic acid, 12-amino-, lactam
Laurolactam
ω-Laurolactam
ω-Dodecalactam
Dodecanolactam
Dodecalactam
2-Oxododecamethylenimine
Cyclododecalactam
Laurinolactam
Lauryl lactam
Laurin lactam
Dodecyllactam
ω-Dodecanolactam
1-Aza-2-cyclotridecanone
12-Aminododecanoic acid lactam
NSC 77100
ω-Laurinactam
Identifiers:
SMILES:
OC1=NCCCCCCCCCCC1
InChI:
InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
Key Properties
Boiling Point
193 °C @ Press: 0.10 Torr
CAS Common Chemistry
Melting Point
150-153 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.32 g/mol | CAS Common Chemistry |
| 197.32199999999995 g/mol | RDKit | |
| 197.177964356 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Laurolactam | CAS Common Chemistry |
| Boiling Point | 193 °C @ Press: 0.10 Torr | 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 |
| Name | Laurolactam | 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 |
| Molar Refractivity | 61.10080000000005 | RDKit |
