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Molecule
Allylamine
CAS: 107-11-9 · C3H7N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-11-9
- Molecular Formula
- C3H7N
- Molecular Mass
- 57.10 g/mol
Identifiers
CAS Registry Number
107-11-9
SMILES
C=CCN
InChI Key
VVJKKWFAADXIJK-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
Names and Synonyms
- Allylamine Common Name
- 2-Propen-1-amine Synonym
- Allylamine Synonym
- 3-Aminopropylene Synonym
- Monoallylamine Synonym
- 3-Aminopropene Synonym
- 3-Amino-1-propene Synonym
- 2-Propenamine Synonym
- 1-Aminoprop-2-ene Synonym
- 2-Propenylamine Synonym
- NSC 7600 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 57.10 g/mol | CAS Common Chemistry |
| 57.09599999999999 g/mol | RDKit | |
| 57.096 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.760 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allylamine | CAS Common Chemistry |
| Boiling Point | 55-58 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VVJKKWFAADXIJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -88 °C | CAS Common Chemistry |
| Name | Allylamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 0.1311000000000001 | RDKit |
| 0.1311 | RDKit | |
| Molar Refractivity | 19.251400000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 57.057849223999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 57.10 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7N.
