Back to Search
Cyclopropylamine
CAS: 765-30-0 | C3H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
765-30-0
Molecular Formula:
C3H7N
Molecular Mass:
57.10 g/mol
Names and Synonyms:
Cyclopropylamine
Cyclopropanamine
Cyclopropylamine
Aminocyclopropane
NSC 56127
Identifiers:
SMILES:
NC1CC1
InChI:
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
Key Properties
Boiling Point
50.5 °C
CAS Common Chemistry
Melting Point
-35.4 °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 | 57.10 g/mol | CAS Common Chemistry |
| 57.096 g/mol | RDKit | |
| 57.057849223999995 g/mol | RDKit | |
| Boiling Point | 50.5 °C | CAS Common Chemistry |
| Canonical SMILES | NC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HTJDQJBWANPRPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.4 °C | CAS Common Chemistry |
| Name | Cyclopropylamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 0.10749999999999993 | RDKit |
| Molar Refractivity | 17.2094 | RDKit |
