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Molecule
Cyclopropylamine
CAS: 765-30-0 · C3H7N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 765-30-0
- Molecular Formula
- C3H7N
- Molecular Mass
- 57.10 g/mol
Identifiers
CAS Registry Number
765-30-0
SMILES
NC1CC1
InChI Key
HTJDQJBWANPRPF-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
Names and Synonyms
- Cyclopropylamine Synonym
- Cyclopropanamine Synonym
- Cyclopropylamine Synonym
- Aminocyclopropane Synonym
- NSC 56127 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 57.10 g/mol | CAS Common Chemistry |
| 57.096 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 |
| 0.1075 | RDKit | |
| Molar Refractivity | 17.2094 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 57.057849223999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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MW = 57.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7N.
