N-(4-Cyanophenyl)glycine

C₉H₈N₂O₂CAS 42288-26-6176.18 g/mol

Open in Covalent MOL file

Carboxylic acid Nitrile Secondary amine

Properties

Molecular formula: C₉H₈N₂O₂
Molar mass: 176.18 g/mol
Exact mass: 176.0586 Da
logP: 1.05Crippen estimate
Polar surface area: 73.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312+H332 Harmful in contact with skin or if inhaled50% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

42288-26-6

SMILES

N#Cc1ccc(NCC(=O)O)cc1

InChIKey

KJRQMXRCZULRHF-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Glycine, N-(4-cyanophenyl)-
Glycine, N-(p-cyanophenyl)-
N-(p-Cyanophenyl)glycine
2-(4-Cyanophenylamino)acetic acid
[(4-Cyanophenyl)amino]acetic acid
4-(((Carboxy)methyl)amino)benzonitrile
2-(4-Cyanoanilino)acetic acid

Work with N-(4-Cyanophenyl)glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phenylglycine103-01-564 % similar Glycin122-87-260 % similar 4-Cyanophenylacetic acid5462-71-558 % similar 3-(4-Cyanophenyl)propanoic acid42287-94-557 % similar 4-Cyanobenzoic acid619-65-846 % similar 3-Cyanobenzeneacetic acid1878-71-345 % similar N-(Phenylmethyl)glycine17136-36-644 % similar N-(2-Carboxyphenyl)glycine612-42-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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