2-(Hydroxymethyl)-N-methylbenzamide - CAS 39976-03-9

Catalog:	BB024234
Product Name:	2-(Hydroxymethyl)-N-methylbenzamide
CAS:	39976-03-9
Synonyms:	2-(hydroxymethyl)-N-methylbenzamide; 2-(hydroxymethyl)-N-methylbenzamide

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Computed Properties

IUPAC Name:	2-(hydroxymethyl)-N-methylbenzamide
Description:	2-(Hydroxymethyl)-N-methylbenzamide (CAS# 39976-03-9) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CNC(=O)C1=CC=CC=C1CO
InChI:	InChI=1S/C9H11NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChI Key:	BFJCVRGMNCURHB-UHFFFAOYSA-N
MDL:	MFCD00157782
LogP:	1.11330

Publication Number	Title	Priority Date
WO-2020126953-A1	Novel imidazopyrazine derivatives as antibacterials	20181217
US-2020239452-A1	IDO/TDO Inhibitor	20171019
EP-3638229-A1	Imidazole-containing inhibitors of alk2 kinase	20170615
KR-20200028939-A	ALK2 kinase inhibitors containing imidazole	20170615
WO-2018232094-A1	Imidazole-containing inhibitors of alk2 kinase	20170615

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3