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Allylamine
CAS: 107-11-9 | C3H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-11-9
Molecular Formula:
C3H7N
Molecular Mass:
57.10 g/mol
Names and Synonyms:
Allylamine
2-Propen-1-amine
Allylamine
3-Aminopropylene
Monoallylamine
3-Aminopropene
3-Amino-1-propene
2-Propenamine
1-Aminoprop-2-ene
2-Propenylamine
NSC 7600
Identifiers:
SMILES:
C=CCN
InChI:
InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
Key Properties
Boiling Point
55-58 °C
CAS Common Chemistry
Melting Point
-88 °C
CAS Common Chemistry
Density
0.76 g/cm³
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 | 57.10 g/mol | CAS Common Chemistry |
| 57.09599999999999 g/mol | RDKit | |
| 57.057849223999995 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.760 g/cm3 @ Temp: 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 |
| Molar Refractivity | 19.251400000000004 | RDKit |
