Back to Search
(±)-2-Methylbutylamine
CAS: 96-15-1 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-15-1
Molecular Formula:
C5H13N
Names and Synonyms:
(±)-2-Methylbutylamine
2-Methylbutanamine
2-Ethylpropylamine
(±)-2-Methylbutylamine
dl-2-Methylbutylamine
β-Methylbutylamine
2-Methyl-1-butylamine
1-Amino-2-methylbutane
2-Methylbutylamine
2-Methyl-1-butanamine
Butylamine, 2-methyl-
1-Butanamine, 2-methyl-
Identifiers:
SMILES:
CCC(C)CN
InChI:
InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
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 | 87.16600000000001 g/mol | RDKit |
| Exact | 87.10479941599999 g/mol | RDKit |
| Heavy | 6 count | RDKit |
| Hydrogen | 1 count | RDKit |
| 1 count | RDKit | |
| Rotatable | 2 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 26.02 Ų | RDKit |
| Physical Properties | 0.9912000000000001 | RDKit |
| 87.17 g/mol | Legacy Database | |
| 40-45 °C @ Press: 12 Torr | Legacy Database | |
| NCC(C)CC | Legacy Database | |
| InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3 | Legacy Database | |
| InChIKey=VJROPLWGFCORRM-UHFFFAOYSA-N | Legacy Database | |
| (±)-2-Methylbutylamine | Legacy Database | |
| Molar | 28.50939999999999 | RDKit |
