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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
Names and Synonyms:
Cycloheptylamine
Cycloheptanamine
Cycloheptylamine
Aminocycloheptane
NSC 18962
(2-Cycloheptyl)amine
Identifiers:
SMILES:
NC1CCCCCC1
InChI:
InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
Key Properties
Boiling Point
165-169 °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 | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.12044947999999 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 | RDKit |
