Back to Search
Molecule
(±)-1,5-Dimethylhexylamine
CAS: 543-82-8 · C8H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 543-82-8
- Molecular Formula
- C8H19N
- Molecular Mass
- 129.25 g/mol
Identifiers
CAS Registry Number
543-82-8
SMILES
CC(C)CCCC(C)N
InChI Key
QNIVIMYXGGFTAK-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
Names and Synonyms
- (±)-1,5-Dimethylhexylamine Systematic Name
- 2-Heptanamine, 6-methyl- Synonym
- Hexylamine, 1,5-dimethyl- Synonym
- 6-Methyl-2-heptanamine Synonym
- SKF 51 Synonym
- Amidrine Synonym
- 2-Amino-6-methylheptane Synonym
- α,ε-Dimethylhexylamine Synonym
- 1,5-Dimethylhexylamine Synonym
- 2-Methyl-6-aminoheptane Synonym
- 6-Methyl-2-heptylamine Synonym
- 6-Amino-2-methylheptane Synonym
- Octodrine Synonym
- Vaporpac Synonym
- 2-Isooctylamine Synonym
- Octodrin Synonym
- Isoctaminum Synonym
- (±)-1,5-Dimethylhexylamine Synonym
- dl-2-Isooctylamine Synonym
- (±)-6-Methyl-2-heptanamine Synonym
- dl-2-Amino-6-methylheptane Synonym
- (±)-2-Amino-6-methylheptane Synonym
- 1,5-Dimethylhexanamine Synonym
- DMHA Synonym
- Dimethylhexylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.25 g/mol | CAS Common Chemistry |
| 129.24699999999999 g/mol | RDKit | |
| 129.247 g/mol | RDKit | |
| Boiling Point | 155 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)CCCC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QNIVIMYXGGFTAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | (±)-1,5-Dimethylhexylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.1599000000000004 | RDKit |
| 2.1599 | RDKit | |
| Molar Refractivity | 42.3384 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.151749608 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 = 129.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19N.
