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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 Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
20439-47-8
SMILES
N[C@@H]1CCCC[C@H]1N
InChI Key
SSJXIUAHEKJCMH-PHDIDXHHSA-N
InChI
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.192 g/mol | RDKit | |
| Canonical SMILES | NC1CCCCC1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SSJXIUAHEKJCMH-PHDIDXHHSA-N | CAS Common Chemistry |
| Melting Point | 43-45 °C | CAS Common Chemistry |
| Name | (-)-trans-1,2-Diaminocyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.21499999999999997 | RDKit |
| 0.215 | RDKit | |
| Molar Refractivity | 34.41879999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C6H14N2.
