Back to Search
(-)-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
1,2-Cyclohexanediamine, (1R,2R)-
1,2-Cyclohexanediamine, (1R-trans)-
(1R,2R)-1,2-Cyclohexanediamine
trans-(-)-1,2-Cyclohexanediamine
l-trans-1,2-Diaminocyclohexane
trans-(-)-1,2-Diaminocyclohexane
(1R,2R)-(-)-1,2-Diaminocyclohexane
(-)-(1R,2R)-Diaminocyclohexane
(R,R)-trans-1,2-Diaminocyclohexane
(R,R)-(-)-1,2-Cyclohexanediamine
trans-(R,R)-1,2-Cyclohexanediamine
trans-l-1,2-Diaminocyclohexane
(-)-trans-1,2-Diaminocyclohexane
trans-(R,R)-1,2-Diaminocyclohexane
(R,R)-(-)-trans-1,2-Diaminocyclohexane
(1R-trans)-1,2-Cyclohexanediamine
trans-1R,2R-Diaminocyclohexane
(1R,2R)-1,2-Diaminocyclohexane
(R,R)-1,2-Diaminocyclohexane
(1R,2R)-trans-1,2-Diaminocyclohexane
(1R,2R)-Diaminocyclohexane
trans-l-1,2-Cyclohexanediamine
(R,R)-(-)-1,2-Diaminocyclohexane
(1R,2R)-(-)-1,2-Cyclohexanediamine
(-)-trans-1,2-Cyclohexanediamine
(1R,2R)-Cyclohexanediamine
(-)-(1R,2R)Cyclohexanediamine
(-)-(1R,2R)-1,2-Cyclohexanediamine
(1R,2R)-(-)-Diaminocyclohexane
trans-(1R,2R)-1,2-Diaminocyclohexane
(R,R)-trans-1,2-Cyclohexanediamine
(R,R)-1,2-Cyclohexanediamine
1R,2R-trans-Cyclohexanediamine
(1R,2R)-trans-Cyclohexane-1,2-diamine
(R,R)-Dach
(1R,2R)-2-Aminocyclohexylamine
(1R,2R)-1,2-trans-Cyclohexanediamine
(1R,2R)-(+)-1,2-Diaminocyclohexane
(R,R)-DACH
(1R,2R)-1,2-Cyclohexyldiamine
(1R,2R)-Cyclohexan-1,2-diamine
DACH
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 114.19200000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 52.04 Ų | RDKit |
| Physical Properties | LogP | 0.21499999999999997 | RDKit |
| molecular_mass | 114.19 g/mol | Legacy Database | |
| cas-canonical-smile | NC1CCCCC1N | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=SSJXIUAHEKJCMH-PHDIDXHHSA-N | Legacy Database | |
| cas-melting-point | 43-45 °C | Legacy Database | |
| cas-name | (-)-trans-1,2-Diaminocyclohexane | Legacy Database | |
| Molar | Molar Refractivity | 34.41879999999999 | RDKit |
