Back to Search
Molecule
Methylallylamine
CAS: 627-37-2 · C4H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 627-37-2
- Molecular Formula
- C4H9N
- Molecular Mass
- 71.12 g/mol
Identifiers
CAS Registry Number
627-37-2
SMILES
C=CCNC
InChI Key
IOXXVNYDGIXMIP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3
Names and Synonyms
- Methylallylamine Synonym
- 2-Propen-1-amine, N-methyl- Synonym
- Allylamine, N-methyl- Synonym
- Methylallylamine Synonym
- N-Methyl-N-allylamine Synonym
- N-Methylallylamine Synonym
- Allylmethylamine Synonym
- N-Allyl-N-methylamine Synonym
- N-Allylmethylamine Synonym
- N-Methylprop-2-enamine Synonym
- N-Methyl-2-propen-1-amine Synonym
- (Methyl)(prop-2-en-1-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.12 g/mol | CAS Common Chemistry |
| 71.12299999999999 g/mol | RDKit | |
| 71.123 g/mol | RDKit | |
| Boiling Point | 65 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IOXXVNYDGIXMIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methylallylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.3918 | RDKit |
| Molar Refractivity | 24.123699999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 71.073499288 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
Convert
Quick conversion
MW = 71.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9N.
