2-((Dimethylamino)methyl)phenol

HCID 32897

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Basic information

CAS: 120-65-0
Standard SMILES: CN(C)Cc1ccccc1O
InChIKey: FUIQBJHUESBZNU-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 2-((Dimethylamino)methyl)phenol
IUPAC: 2-[(dimethylamino)methyl]phenol

Names & synonyms

2-((Dimethylamino)methyl)phenol120-65-02-(Dimethylaminomethyl)phenol2-[(dimethylamino)methyl]phenolo-(Dimethylaminomethyl)phenolDTXSID3041293Phenol, 2-((dimethylamino)methyl)-alpha-(Dimethylamino)-o-cresolNSC-12220111113M8RTDTXCID8021199Phenol, 2-[(dimethylamino)methyl]-

Show more names

RefChem:1060576204-413-92-DimethylaminomethylphenolN,N-Dimethyl-2-hydroxybenzylaminealpha-Dimethylamino-o-cresol2-Dimethylaminomethylphenol (contains phenol)(2-Hydroxybenzyl)dimethylamineDMP-10

Database identifiers

CAS: 120-65-0、25338-55-0
PubChem CID: 32897
DTXSID: DTXSID3041293
ChEMBL: CHEMBL3182353
UNII: 111113M8RT
EC Number: 204-413-9
Nikkaji: J141.520D

Properties

Computed structural propertiesFilling in

XLogP: 0.9
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 114

Experimental & physicochemical properties

Collision Cross Section162.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041293]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P318, P319, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

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