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(±)-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 Weight:
129.24699999999999 g/mol
Names and Synonyms:
(±)-1,5-Dimethylhexylamine
Dimethylhexylamine
DMHA
1,5-Dimethylhexanamine
(±)-2-Amino-6-methylheptane
dl-2-Amino-6-methylheptane
(±)-6-Methyl-2-heptanamine
dl-2-Isooctylamine
(±)-1,5-Dimethylhexylamine
Isoctaminum
Octodrin
2-Isooctylamine
Vaporpac
Octodrine
6-Amino-2-methylheptane
6-Methyl-2-heptylamine
2-Methyl-6-aminoheptane
1,5-Dimethylhexylamine
α,ε-Dimethylhexylamine
2-Amino-6-methylheptane
Amidrine
SKF 51
6-Methyl-2-heptanamine
Hexylamine, 1,5-dimethyl-
2-Heptanamine, 6-methyl-
Identifiers:
SMILES:
CC(C)CCCC(C)N
InChI:
InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.24699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.151749608 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.1599000000000004 | RDKit |
| molecular_mass | 129.25 g/mol | Legacy Database |
| cas-boiling-point | 155 °C None | Legacy Database |
| cas-canonical-smile | NC(C)CCCC(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QNIVIMYXGGFTAK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | (±)-1,5-Dimethylhexylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.3384 | RDKit |
