1,4-Cyclohexanedimethanamine

C₈H₁₈N₂CAS 2549-93-1142.25 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₁₈N₂
Molar mass: 142.25 g/mol
Exact mass: 142.1470 Da
Melting point: −9 °C
Boiling point: 113–115 °C
logP: 0.71Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed36.9% of notifiers
H311 Toxic in contact with skin36.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage64.2% of notifiers
H412 Harmful to aquatic life with long lasting effects58.1% of notifiers

Aggregated from 179 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number

2549-93-1

SMILES

NCC1CCC(CN)CC1

InChIKey

OXIKYYJDTWKERT-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2

Weigh it out

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

Names and synonyms

11 names

1,4-Cyclohexanebis(methylamine)
1,4-Bis(aminomethyl)cyclohexane
1,4-Di(aminomethyl)cyclohexane
Hexahydro-p-xylylenediamine
1,4-Cyclohexanedimethylamine
1,4-Cyclohexylenebis(methylamine)
p-Bis(aminomethyl)cyclohexane
[[4-(Aminomethyl)cyclohexyl]methyl]amine
XTA 808
XTA 801
[4-(Aminomethyl)cyclohexyl]methanamine

Work with 1,4-Cyclohexanedimethanamine

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

Similar compounds

Cyclopropanemethanamine2516-47-4100 % similar Cyclobutanemethanamine4415-83-271 % similar Cyclohexanemethanamine3218-02-867 % similar 4-Aminomethyltetrahydropyran130290-79-859 % similar Cyclobutylmethylamine hydrochloride5454-82-059 % similar 4-(Aminomethyl)piperidine7144-05-059 % similar (1-Methylpiperidin-4-yl)methanamine7149-42-050 % similar Tranexamic acid1197-18-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(1-Methylethyl)-4-piperidinamine127285-08-9 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9 1,3-Bac2579-20-6 1-(1-Methylpropyl)piperazine34581-21-0 1-Piperidinepropanamine3529-08-6 N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine4559-79-9 1,4-Diethylpiperazine6483-50-7 trans-N,N′-Dimethyl-1,2-cyclohexanediamine67579-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook