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(-)-Trans-1,2-Diaminocyclohexane
CAS: 20439-47-8 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20439-47-8
Molecular Formula:
C6H14N2
Molecular Weight:
114.19200000000001 g/mol
Names and Synonyms:
(-)-Trans-1,2-Diaminocyclohexane
Synonym
1,2-Cyclohexanediamine, (1R,2R)-
Synonym
1,2-Cyclohexanediamine, (1R-trans)-
Synonym
(1R,2R)-1,2-Cyclohexanediamine
Synonym
trans-(-)-1,2-Cyclohexanediamine
Synonym
l-trans-1,2-Diaminocyclohexane
Synonym
trans-(-)-1,2-Diaminocyclohexane
Synonym
(1R,2R)-(-)-1,2-Diaminocyclohexane
Synonym
(-)-(1R,2R)-Diaminocyclohexane
Synonym
(R,R)-trans-1,2-Diaminocyclohexane
Synonym
(R,R)-(-)-1,2-Cyclohexanediamine
Synonym
trans-(R,R)-1,2-Cyclohexanediamine
Synonym
trans-l-1,2-Diaminocyclohexane
Synonym
(-)-trans-1,2-Diaminocyclohexane
Synonym
trans-(R,R)-1,2-Diaminocyclohexane
Synonym
(R,R)-(-)-trans-1,2-Diaminocyclohexane
Synonym
(1R-trans)-1,2-Cyclohexanediamine
Synonym
trans-1R,2R-Diaminocyclohexane
Synonym
(1R,2R)-1,2-Diaminocyclohexane
Synonym
(R,R)-1,2-Diaminocyclohexane
Synonym
(1R,2R)-trans-1,2-Diaminocyclohexane
Synonym
(1R,2R)-Diaminocyclohexane
Synonym
trans-l-1,2-Cyclohexanediamine
Synonym
(R,R)-(-)-1,2-Diaminocyclohexane
Synonym
(1R,2R)-(-)-1,2-Cyclohexanediamine
Synonym
(-)-trans-1,2-Cyclohexanediamine
Synonym
(1R,2R)-Cyclohexanediamine
Synonym
(-)-(1R,2R)Cyclohexanediamine
Synonym
(-)-(1R,2R)-1,2-Cyclohexanediamine
Synonym
(1R,2R)-(-)-Diaminocyclohexane
Synonym
trans-(1R,2R)-1,2-Diaminocyclohexane
Synonym
(R,R)-trans-1,2-Cyclohexanediamine
Synonym
(R,R)-1,2-Cyclohexanediamine
Synonym
1R,2R-trans-Cyclohexanediamine
Synonym
(1R,2R)-trans-Cyclohexane-1,2-diamine
Synonym
(R,R)-Dach
Synonym
(1R,2R)-2-Aminocyclohexylamine
Synonym
(1R,2R)-1,2-trans-Cyclohexanediamine
Synonym
(1R,2R)-(+)-1,2-Diaminocyclohexane
Synonym
(R,R)-DACH
Synonym
(1R,2R)-1,2-Cyclohexyldiamine
Synonym
(1R,2R)-Cyclohexan-1,2-diamine
Synonym
DACH
Synonym
Identifiers:
SMILES:
N[C@@H]1CCCC[C@H]1N
InChI:
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
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 | 114.19200000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 52.04 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.21499999999999997 | RDKit |
| molecular_mass | 114.19 g/mol | Legacy Database |
| cas-canonical-smile | NC1CCCCC1N None | Legacy Database |
| cas-inchi | InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=SSJXIUAHEKJCMH-PHDIDXHHSA-N None | Legacy Database |
| cas-melting-point | 43-45 °C None | Legacy Database |
| cas-name | (-)-trans-1,2-Diaminocyclohexane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.41879999999999 | RDKit |