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Cyclobutylamine
CAS: 2516-34-9 | C4H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2516-34-9
Molecular Formula:
C4H9N
Molecular Mass:
71.12 g/mol
Names and Synonyms:
Cyclobutylamine
Cyclobutanamine
Cyclobutylamine
Aminocyclobutane
1-Aminocyclobutane
Identifiers:
SMILES:
NC1CCC1
InChI:
InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
Key Properties
Boiling Point
82 °C
CAS Common Chemistry
Melting Point
133-135.5 °C @ Solvent: Ligroine, Dichloromethane
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 | 71.12 g/mol | CAS Common Chemistry |
| 71.123 g/mol | RDKit | |
| 71.073499288 g/mol | RDKit | |
| Boiling Point | 82 °C | CAS Common Chemistry |
| Canonical SMILES | NC1CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KZZKOVLJUKWSKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133-135.5 °C @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | Cyclobutylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.4975999999999999 | RDKit |
| Molar Refractivity | 21.826399999999992 | RDKit |
