(-)-trans-1,2-Diaminocyclohexane

C₆H₁₄N₂CAS 20439-47-8114.19 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Melting point: 43–45 °C
logP: 0.21Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage96.1% of notifiers
H317 May cause an allergic skin reaction11.8% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

20439-47-8

SMILES

N[C@@H]1CCCC[C@H]1N

InChIKey

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

Weigh it out

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

Names and synonyms

41 names · show all

1,2-Diaminocyclohexane, trans-
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-(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
(1R,2R)-1,2-Cyclohexyldiamine
(1R,2R)-Cyclohexan-1,2-diamine
DACH

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 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-Diaminocyclohexane1121-22-8Enantiomer (+)-trans-1,2-Diaminocyclohexane21436-03-3Enantiomer 1,2-Diaminocyclohexane694-83-7Stereo not defined cis-1,2-Cyclohexanediamine1436-59-5Diastereomer (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0Salt (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-4Salt, enantiomer

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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