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Hexylammonium Chloride
CAS: 142-81-4 | C6H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-81-4
Molecular Formula:
C6H16ClN
Molecular Mass:
137.65 g/mol
Names and Synonyms:
Hexylammonium Chloride
1-Hexanamine, hydrochloride (1:1)
Hexylamine, hydrochloride
1-Hexanamine, hydrochloride
Hexylammonium chloride
n-Hexylammonium chloride
n-Hexylamine hydrochloride
1-Hexylamine hydrochloride
1-Aminohexane hydrochloride
Identifiers:
SMILES:
CCCCCCN.Cl
InChI:
InChI=1S/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H
Key Properties
Melting Point
218-219 °C
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 | 137.65 g/mol | CAS Common Chemistry |
| 137.65400000000002 g/mol | RDKit | |
| 137.097127192 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XKDUZXVNQOZCFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218-219 °C | CAS Common Chemistry |
| Name | Hexylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.9472 | RDKit |
| Molar Refractivity | 40.4444 | RDKit |
