1-(Aminomethyl)cyclohexan-1-ol

HCID 77614

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Basic information

CAS: 4000-72-0
Standard SMILES: NCC1(O)CCCCC1
InChIKey: XUSXTHMTOSFZII-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: 1-(Aminomethyl)cyclohexan-1-ol
IUPAC: 1-(aminomethyl)cyclohexan-1-ol
English name: (aminomethyl)cyclohexan-1-ol
Molecular formula: C7H15NO
Molecular weight: 129.2001

Names & synonyms

1-(Aminomethyl)cyclohexanol1-(Aminomethyl)cyclohexan-1-ol4000-72-0EINECS 223-648-8DTXSID80193065RefChem:426986DTXCID90115556223-648-81-(aminomethyl)-cyclohexanolMFCD062136801-Aminomethyl-cyclohexanol71412-02-7

Show more names

1-Aminomethyl-1-cyclohexanolCHEMBL18585Cyclohexanol, 1-(aminomethyl)-1-Aminomethlcyclohexanol(Aminomethyl)cyclohexan-1-ol1-(aminomethyl)-1-cyclohexanolEINECS 275-410-8amino methyl cyclohexanol

Database identifiers

CAS: 4000-72-0、71412-02-7
PubChem CID: 77614
DTXSID: DTXSID80193065
ChEMBL: CHEMBL18585
EC Number: 223-648-8、275-410-8
Nikkaji: J217.820F

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 86.9

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.