4-Acetamido-2-methylbenzonitrile - CAS 321162-59-8

Catalog:	BB021176
Product Name:	4-Acetamido-2-methylbenzonitrile
CAS:	321162-59-8
Synonyms:	N-(4-cyano-3-methylphenyl)acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(4-cyano-3-methylphenyl)acetamide
Description:	4-Acetamido-2-methylbenzonitrile (CAS# 321162-59-8) is a useful research chemical compound.
Molecular Weight:	174.20
Molecular Formula:	C10H10N2O
Canonical SMILES:	CC1=C(C=CC(=C1)NC(=O)C)C#N
InChI:	InChI=1S/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)
InChI Key:	SRCREJLHAPEANJ-UHFFFAOYSA-N
Boiling Point:	385.5 ℃ at 760 mmHg
Melting Point:	161-164 ℃ (lit.)
Purity:	95 %
Density:	1.13 g/cm³
Solubility:	Insoluble in water
Appearance:	Powder
MDL:	MFCD02258877
LogP:	1.89808

Publication Number	Title	Priority Date
EP-3733170-A1	A method of treating androgen receptor (ar) -positive breast cancers with selective androgen receptor modulator (sarms)	20120713
US-2003236267-A1	Benzimidazole derivatives	20020514
US-7125877-B2	Benzimidazole derivatives	20020514

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.079312947
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8