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Cyclopropanemethanamine
CAS: 2516-47-4 | C4H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2516-47-4
Molecular Formula:
C4H9N
Molecular Weight:
71.123 g/mol
Names and Synonyms:
Cyclopropanemethanamine
Common Name
1-Cyclopropylmethanamine
Synonym
N-(Cyclopropylmethyl)amine
Synonym
C-Cyclopropylmethylamine
Synonym
Cyclopropylmethanamine
Synonym
Aminomethylcyclopropane
Synonym
(Cyclopropylmethyl)amine
Synonym
Cyclopropanemethylamine
Synonym
Cyclopropanemethanamine
Synonym
Identifiers:
SMILES:
NCC1CC1
InChI:
InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.123 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 71.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3551000000000002 | RDKit |
| molecular_mass | 71.12 g/mol | Legacy Database |
| cas-boiling-point | 83.5 °C None | Legacy Database |
| cas-canonical-smile | NCC1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IGSKHXTUVXSOMB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cyclopropanemethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.778399999999994 | RDKit |