Back to Search
Cyclohexanemethanamine
CAS: 3218-02-8 | C7H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3218-02-8
Molecular Formula:
C7H15N
Molecular Mass:
113.20 g/mol
Names and Synonyms:
Cyclohexanemethanamine
Cyclohexanemethanamine
Cyclohexanemethylamine
Cyclohexylmethanamine
(Aminomethyl)cyclohexane
NSC 172991
1-Cyclohexylmethanamine
C-Cyclohexyl-methylamine
Cyclohexylmethyleneamine
Identifiers:
SMILES:
NCC1CCCCC1
InChI:
InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
Key Properties
Boiling Point
160 °C
CAS Common Chemistry
Melting Point
162-163 °C
CAS Common Chemistry
Density
0.87 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 | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.12044947999999 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8746 g/cm3 @ Temp: 14 °C | CAS Common Chemistry | |
| Boiling Point | 160 °C | CAS Common Chemistry |
| Canonical SMILES | NCC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AVKNGPAMCBSNSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162-163 °C | CAS Common Chemistry |
| Name | Cyclohexanemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5254000000000003 | RDKit |
| Molar Refractivity | 35.6294 | RDKit |
