trans-1,2-Diaminocyclohexane

C6H14N2CAS 1121-22-8114.19 g/mol

Open in Covalent MOL file
H2NH2N
Primary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
Melting point
233–235 °C
Boiling point
79–81 °C
logP
0.21Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1121-22-8
SMILES
N[C@H]1CCCC[C@@H]1N
InChIKey
SSJXIUAHEKJCMH-IOMOGOHMNA-N
InChI
InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,2-Cyclohexanediamine, (1R,2R)-rel-
  • 1,2-Cyclohexanediamine, trans-
  • Rel-(1R,2R)-1,2-Cyclohexanediamine
  • trans-1,2-Cyclohexanediamine
  • (±)-trans-1,2-Diaminocyclohexane
  • trans-Dl-1,2-Diaminocyclohexane
  • (±)-trans-1,2-Cyclohexanediamine
  • (1R,2R)-Rel-1,2-Cyclohexanediamine
  • 1,2-trans-Diaminocyclohexane
  • trans-N,N′-1,2-Cyclohexanediamine
  • Rel-(1R,2R)-Cyclohexane-1,2-diamine
  • S,S-Cyclohexanediamine

Work with trans-1,2-Diaminocyclohexane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-trans-1,2-Diaminocyclohexane20439-47-8Enantiomer 1,2-Diaminocyclohexane694-83-7Stereo not defined cis-1,2-Cyclohexanediamine1436-59-5Diastereomer (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0Salt, enantiomer (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-4Salt (+)-trans-1,2-Diaminocyclohexane21436-03-3

Similar compounds

2-Aminocyclohexanol6850-38-056 % similar 2-Methylcyclohexylamine7003-32-956 % similar (1R,2R)-2-Aminocyclohexanol931-16-856 % similar Oxaliplatin61825-94-348 % similar (SP-4-2)-[rel-(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]platinum63121-00-648 % similar trans-2-Aminocyclohexanol hydrochloride5456-63-348 % similar cis-2-Aminocyclohexanol hydrochloride6936-47-648 % similar (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine894493-95-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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