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Molecule
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 Mass
- 71.12 g/mol
Identifiers
CAS Registry Number
2516-47-4
SMILES
NCC1CC1
InChI Key
IGSKHXTUVXSOMB-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
Names and Synonyms
- Cyclopropanemethanamine Common Name
- Cyclopropanemethanamine Synonym
- Cyclopropanemethylamine Synonym
- (Cyclopropylmethyl)amine Synonym
- Aminomethylcyclopropane Synonym
- Cyclopropylmethanamine Synonym
- C-Cyclopropylmethylamine Synonym
- N-(Cyclopropylmethyl)amine Synonym
- 1-Cyclopropylmethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.12 g/mol | CAS Common Chemistry |
| 71.123 g/mol | RDKit | |
| Boiling Point | 83.5 °C | CAS Common Chemistry |
| Canonical SMILES | NCC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGSKHXTUVXSOMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopropanemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.3551000000000002 | RDKit |
| 0.3551 | RDKit | |
| Molar Refractivity | 21.778399999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 71.073499288 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
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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 = 71.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9N.
