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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 Weight:
151.63699999999997 g/mol
Names and Synonyms:
Cyclohexanamine, N-Hydroxy-, Hydrochloride (1:1)
Cyclohexylhydroxylamine hydrochloride
N-Hydroxycyclohexanamine hydrochloride
Cyclohexylhydroxyamine hydrochloride
Cyclohexylhydroxylammonium chloride
N-Cyclohexylhydroxylamine hydrochloride
Cyclohexanamine, N-hydroxy-, hydrochloride
Hydroxylamine, N-cyclohexyl-, hydrochloride
Cyclohexanamine, N-hydroxy-, hydrochloride (1:1)
Identifiers:
SMILES:
Cl.ONC1CCCCC1
InChI:
InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.63699999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.076391748 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 32.26 Ų | RDKit |
| Physical Properties | LogP | 1.7197 | RDKit |
| molecular_mass | 151.64 g/mol | Legacy Database | |
| cas-canonical-smile | Cl.ONC1CCCCC1 | Legacy Database | |
| cas-inchi | InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H | Legacy Database | |
| cas-inchi-key | InChIKey=SSVAHXZUFFSFER-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 142 °C | Legacy Database | |
| cas-name | Cyclohexanamine, N-hydroxy-, hydrochloride (1:1) | Legacy Database | |
| Molar | Molar Refractivity | 39.04320000000001 | RDKit |
