[1-(Aminomethyl)cyclohexyl]methanamine

HCID 71994

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Basic information

CAS: 36510-95-9
Standard SMILES: NCC1(CN)CCCCC1
InChIKey: XZAHJRZBUWYCBM-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: [1-(Aminomethyl)cyclohexyl]methanamine
IUPAC: [1-(aminomethyl)cyclohexyl]methanamine

Names & synonyms

[1-(aminomethyl)cyclohexyl]methanamine4441-55-8(1-(aminomethyl)cyclohexyl)methanamineRefChem:391823970-237-0cyclohexane-1,1-diyldimethanamine36510-95-9bis (aminomethyl) cyclohexaneGabapentine Impurity 25di(aminomethyl)-cyclohexanecyclohexanebis (methylamine)1,1-Cyclohexanedimethanamine

Show more names

SCHEMBL34979DTXSID60275717XZAHJRZBUWYCBM-UHFFFAOYSA-NEAA44155(Cyclohexane-1,1-diyl)dimethanamineAKOS006340004AT318901-[1-(aminomethyl)cyclohexyl]methanamine

Database identifiers

CAS: 36510-95-9、4441-55-8
PubChem CID: 71994
DTXSID: DTXSID60275717
EC Number: 970-237-0

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 89.4

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.