1,2-Diaminocyclohexane
Properties
- Molecular formula
- C6H14N2
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1157 Da
- Density
- 0.952 g/mL (at 20 °C)
- Boiling point
- 92–93 °C
- Flash point
- 93 °C
- logP
- 0.21Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.2% of notifiers
- H302 Harmful if swallowed43.1% of notifiers
- H312 Harmful in contact with skin43.3% of notifiers
- H314 Causes severe skin burns and eye damage91% of notifiers
- H317 May cause an allergic skin reaction35.7% of notifiers
- H318 Causes serious eye damage56.9% of notifiers
- H332 Harmful if inhaled43.1% of notifiers
- H335 May cause respiratory irritation43.1% of notifiers
Aggregated from 513 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
694-83-7SMILES
NC1CCCCC1NInChIKey
SSJXIUAHEKJCMH-UHFFFAOYSA-NInChI
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1,2-Cyclohexanediamine
- Dytek DCH 99
- DHC 99
- DCH 99
- Resoltech 1805
Work with 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-Diaminocyclohexane20439-47-8Defined stereoisomer
trans-1,2-Diaminocyclohexane1121-22-8Defined stereoisomer
(+)-trans-1,2-Diaminocyclohexane21436-03-3Defined stereoisomer
cis-1,2-Cyclohexanediamine1436-59-5Defined stereoisomer
(R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0Salt, defined stereoisomer
(1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-4Salt, defined stereoisomer
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.