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Cyclohexanamine, N-Hydroxy-, Hydrochloride (1:1)
CAS: 25100-12-3 | C6H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25100-12-3
Molecular Formula:
C6H14ClNO
Molecular Mass:
151.64 g/mol
Names and Synonyms:
Cyclohexanamine, N-Hydroxy-, Hydrochloride (1:1)
Cyclohexanamine, N-hydroxy-, hydrochloride (1:1)
Hydroxylamine, N-cyclohexyl-, hydrochloride
Cyclohexanamine, N-hydroxy-, hydrochloride
N-Cyclohexylhydroxylamine hydrochloride
Cyclohexylhydroxylammonium chloride
Cyclohexylhydroxyamine hydrochloride
N-Hydroxycyclohexanamine hydrochloride
Cyclohexylhydroxylamine hydrochloride
Identifiers:
SMILES:
Cl.ONC1CCCCC1
InChI:
InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
Key Properties
Melting Point
142 °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 | 151.64 g/mol | CAS Common Chemistry |
| 151.63699999999997 g/mol | RDKit | |
| 151.076391748 g/mol | RDKit | |
| Canonical SMILES | Cl.ONC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SSVAHXZUFFSFER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C | CAS Common Chemistry |
| Name | Cyclohexanamine, N-hydroxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.7197 | RDKit |
| Molar Refractivity | 39.04320000000001 | RDKit |
