Back to Search
Molecule
Cycloheptylamine
CAS: 5452-35-7 · C7H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5452-35-7
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
5452-35-7
SMILES
NC1CCCCCC1
InChI Key
VXVVUHQULXCUPF-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
Names and Synonyms
- Cycloheptylamine Common Name
- Cycloheptanamine Synonym
- Cycloheptylamine Synonym
- Aminocycloheptane Synonym
- NSC 18962 Synonym
- (2-Cycloheptyl)amine 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 | |
| Boiling Point | 165-169 °C | CAS Common Chemistry |
| Canonical SMILES | NC1CCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VXVVUHQULXCUPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cycloheptylamine | 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 | 26.02 Ų | RDKit |
| LogP | 1.6679 | RDKit |
| Molar Refractivity | 35.6774 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
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 = 113.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
