2-(Aminomethyl)-4-tert-butylphenol hydrochloride

HCID 21296950

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Basic information

CAS: 63712-11-8
Standard SMILES: CC(C)(C)c1ccc(O)c(CN)c1.Cl
InChIKey: NMSODEPIDMLBGW-UHFFFAOYSA-N
Molecular formula: C11H18ClNO
Average molar mass: 215.72 g/mol
Monoisotopic mass: 215.10769188

Names & identifiers

Preferred name: 2-(Aminomethyl)-4-tert-butylphenol hydrochloride
IUPAC: 2-(aminomethyl)-4-tert-butylphenol;hydrochloride
English name: Phenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-, hydrochloride (1:1)
Molecular formula: C11H18ClNO
Molecular weight: 215.72

Names & synonyms

63712-11-82-(AMINOMETHYL)-4-TERT-BUTYLPHENOL HYDROCHLORIDECHEMBL545638SCHEMBL10639643DTXSID50612112NMSODEPIDMLBGW-UHFFFAOYSA-N2-(Aminomethyl)-4-(tert-butyl)phenol hydrochloride2-aminomethyl-4-(1,1-dimethylethyl)phenol hydrochloride2-aminomethyl-4-(1,1-dimethylethyl)-phenol hydrochloride2-(Aminomethyl)-4-tert-butylphenol--hydrogen chloride (1/1)2-(aminomethyl)-4-tert-butylphenol,hydrochloridePhenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-, hydrochloride (1:1)

Database identifiers

CAS: 63712-11-8
PubChem CID: 21296950
DTXSID: DTXSID50612112
ChEMBL: CHEMBL545638
EC Number: 162-262-3

Properties

Computed structural properties

Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 162

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.