1,4-Diaminocyclohexane

C6H14N2CAS 3114-70-3114.19 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
Boiling point
90 °C (at 22 Torr)
logP
0.21Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
3114-70-3
SMILES
NC1CCC(N)CC1
InChIKey
VKIRRGRTJUUZHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2

Weigh it out

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

Names and synonyms

4 names
  • 1,4-Cyclohexanediamine
  • Hexahydro-1,4-phenylenediamine
  • 1,4-Cyclohexylenediamine
  • 4-Aminocyclohexylamine

Work with 1,4-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-1,4-Diaminocyclohexane2615-25-0Defined stereoisomer

Similar compounds

Cyclopropylamine765-30-0100 % similar Cyclopentylamine1003-03-867 % similar Cyclobutylamine2516-34-967 % similar 4,4′-Diaminodicyclohexylmethane1761-71-364 % similar Cyclohexylamine108-91-862 % similar Cyclododecanamine1502-03-062 % similar Cycloheptylamine5452-35-762 % similar Cyclooctylamine5452-37-962 % 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 trans-1,2-Diaminocyclohexane1121-22-8 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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