1,3-Cyclohexanediamine

C₆H₁₄N₂CAS 3385-21-5114.19 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Boiling point: 97 °C (at 30 Torr)
logP: 0.21Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

3385-21-5

SMILES

NC1CCCC(N)C1

InChIKey

GEQHKFFSPGPGLN-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2

Weigh it out

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

Names and synonyms

1 names

1,3-Diaminocyclohexane

Work with 1,3-Cyclohexanediamine

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

Similar compounds

Cyclobutylamine2516-34-971 % similar Cyclopentylamine1003-03-860 % similar 3-Methylcyclohexanamine6850-35-760 % similar 3-Aminocyclohexanol6850-39-160 % similar Cyclobutylammonium chloride6291-01-659 % similar Cyclohexylamine108-91-856 % similar Cyclododecanamine1502-03-056 % similar Cycloheptylamine5452-35-756 % 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

PubChem CAS Common Chemistry NIST WebBook