2-(Aminomethyl)phenol

HCID 70267

Substructure search Find similar structures

Basic information

CAS: 50312-64-6
Standard SMILES: NCc1ccccc1O
InChIKey: KPRZOPQOBJRYSW-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Overview

2-(aminomethyl)phenol is under investigation in clinical trial NCT03556319 (2-HOBA: Multiple Dosing Study in Older Adults).

Names & identifiers

Preferred name: 2-(Aminomethyl)phenol
IUPAC: 2-(aminomethyl)phenol
English name: (aminomethyl)phenol
Molecular formula: C7H9NO
Molecular weight: 123.15246

Names & synonyms

2-(Aminomethyl)phenol932-30-92-hydroxybenzylamine2-HOBA696R5N4NRMNSC-127870DTXSID70902921RefChem:459608DTXCID40869835213-249-7Salicylamineo-hydroxybenzylamine

Show more names

(Aminomethyl)phenol2-aminomethylphenolMFCD0087049850312-64-6NSC 1278702-HYDROXYLBENZYLAMINESCHEMBL110156CS-D1655

Database identifiers

CAS: 50312-64-6、932-30-9
PubChem CID: 70267
DTXSID: DTXSID70902921
ChEMBL: CHEMBL155572、CHEMBL3114402
UNII: 696R5N4NRM
EC Number: 213-249-7、256-534-1
Nikkaji: J298.514D

Properties

Computed structural properties

XLogP: 0.5
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: 85

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.