4-Chloro-2-[(dimethylamino)methyl]phenol

HCID 308174

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Basic information

CAS: 54828-00-1
Standard SMILES: CN(C)Cc1cc(Cl)ccc1O
InChIKey: WPEGHIRPYPPYDO-UHFFFAOYSA-N
Molecular formula: C9H12ClNO
Average molar mass: 185.65 g/mol
Monoisotopic mass: 185.0607417

Overview

See also: 4-chloro-2-((dimethylamino)methyl)-Phenol (annotation moved to).

Names & identifiers

Preferred name: 4-Chloro-2-[(dimethylamino)methyl]phenol
IUPAC: 4-chloro-2-[(dimethylamino)methyl]phenol

Names & synonyms

4-chloro-2-[(dimethylamino)methyl]phenol54828-00-14-chloro-2-(dimethylaminomethyl)phenolNSC208846Oprea1_751298SCHEMBL3210774DTXSID20308752WPEGHIRPYPPYDO-UHFFFAOYSA-NSTL3277364-Chloro-a-(dimethylamino)-O-cresolAKOS017515943NSC-208846

Show more names

4-chloro-2-(di-methylaminomethyl)phenolDS-014929phenol, 4-chloro-2-(N,N-dimethylaminomethyl)-

Database identifiers

CAS: 54828-00-1
PubChem CID: 308174
DTXSID: DTXSID20308752
Nikkaji: J1.172.170B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Related reactions

1 records

New reaction record

HRID 1598314As productuspto-grants-1998_04

Compound notes

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