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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 Weight:
57.096 g/mol
Names and Synonyms:
Cyclopropylamine
Synonym
Cyclopropanamine
Synonym
Cyclopropylamine
Synonym
Aminocyclopropane
Synonym
NSC 56127
Synonym
Identifiers:
SMILES:
NC1CC1
InChI:
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 57.10 g/mol | Legacy Database |
| cas-boiling-point | 50.5 °C None | Legacy Database |
| cas-canonical-smile | NC1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HTJDQJBWANPRPF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -35.4 °C None | Legacy Database |
| cas-name | Cyclopropylamine None | Legacy Database |
| LogP | 0.10749999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 57.096 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 57.057849223999995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.2094 | RDKit |