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Cyclohexanamine, 4-Methyl-, Hydrochloride (1:1), Trans-
CAS: 33483-65-7 | C7H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33483-65-7
Molecular Formula:
C7H16ClN
Molecular Weight:
149.66500000000002 g/mol
Names and Synonyms:
Cyclohexanamine, 4-Methyl-, Hydrochloride (1:1), Trans-
Cyclohexanamine, 4-methyl-, hydrochloride (1:1), trans-
Cyclohexylamine, 4-methyl-, hydrochloride, trans-
Cyclohexanamine, 4-methyl-, hydrochloride, trans-
trans-4-Methylcyclohexylamine hydrochloride
trans-4-Methylcyclohexanamine hydrochloride
Identifiers:
SMILES:
C[C@H]1CC[C@H](N)CC1.Cl
InChI:
InChI=1/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.67 g/mol | Legacy Database |
| cas-canonical-smile | Cl.NC1CCC(C)CC1 None | Legacy Database |
| cas-inchi | InChI=1/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7-; None | Legacy Database |
| cas-inchi-key | InChIKey=GIRKJSRZELQHDX-MEZFUOHNNA-N None | Legacy Database |
| cas-melting-point | 260 °C None | Legacy Database |
| cas-name | Cyclohexanamine, 4-methyl-, hydrochloride (1:1), trans- None | Legacy Database |
| LogP | 1.9456000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.66500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.097127192 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 | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.85540000000001 | RDKit |
