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Caprolactam
CAS: 105-60-2 | C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-60-2
Molecular Formula:
C6H11NO
Molecular Mass:
113.16 g/mol
Names and Synonyms:
Caprolactam
2H-Azepin-2-one, hexahydro-
Hexahydro-2H-azepin-2-one
Aminocaproic lactam
Caprolactam
ε-Caprolactam
2-Ketohexamethylenimine
2-Oxohexamethylenimine
Hexanoic acid, 6-amino-, cyclic lactam
Hexahydro-2-azepinone
2-Azacycloheptanone
6-Caprolactam
6-Hexanelactam
2-Perhydroazepinone
ω-Caprolactam
1-Aza-2-cycloheptanone
Hexanolactam
Azepan-2-one
Hexano-6-lactam
NSC 117393
NSC 25536
NSC 4977
Hexahydro-1H-azepin-2-one
AP
AP (lactam)
A 19374
2-Oxoazepane
6-Aminohexanoic acid lactam
AP-Nylon
Identifiers:
SMILES:
OC1=NCCCCC1
InChI:
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
Key Properties
Boiling Point
270 °C
CAS Common Chemistry
Melting Point
69.3 °C
CAS Common Chemistry
Density
1.02 g/cm³
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 | 113.16 g/mol | CAS Common Chemistry |
| 113.16000000000001 g/mol | RDKit | |
| 113.084063972 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.02 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caprolactam | CAS Common Chemistry |
| Boiling Point | 270 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1NCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=JBKVHLHDHHXQEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69.3 °C | CAS Common Chemistry |
| Name | Caprolactam | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.5169 | RDKit |
| Molar Refractivity | 33.398799999999994 | RDKit |
