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Molecule
Cyclohexanemethanamine
CAS: 3218-02-8 · C7H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3218-02-8
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
3218-02-8
SMILES
NCC1CCCCC1
InChI Key
AVKNGPAMCBSNSO-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
Names and Synonyms
- Cyclohexanemethanamine Common Name
- Cyclohexanemethanamine Synonym
- Cyclohexanemethylamine Synonym
- Cyclohexylmethanamine Synonym
- (Aminomethyl)cyclohexane Synonym
- NSC 172991 Synonym
- 1-Cyclohexylmethanamine Synonym
- C-Cyclohexyl-methylamine Synonym
- Cyclohexylmethyleneamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.204 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8746 g/cm3 @ 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 |
| 1.5254 | RDKit | |
| Molar Refractivity | 35.6294 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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Quick conversion
MW = 113.20 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
