N-(4-Cyanophenyl)glycine - CAS 42288-26-6

Catalog:	BB053754
Product Name:	N-(4-Cyanophenyl)glycine
CAS:	42288-26-6
Synonyms:	n-(4-cyanophenyl)glycine; 42288-26-6; 2-((4-Cyanophenyl)amino)aceticacid; N-(4-CYANO-PHENYL)-GLYCINE; 2-(4-Cyanophenylamino)aceticacid; N-(4-cyanophenyl)-Glycine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(4-cyanoanilino)acetic acid
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	C1=CC(=CC=C1C#N)NCC(=O)O
InChI:	InChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChI Key:	KJRQMXRCZULRHF-UHFFFAOYSA-N
Boiling Point:	447.2±30.0 °C at 760 mmHg
Purity:	>98% by HPLC
Density:	1.3±0.1 g/cm3
Appearance:	White Powder

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Related Functional Groups

Amines and Anilines

[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[856848-33-4]
2-Amino-4,5-dibromopyridine

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312+H332 (50%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	73.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3