CAS 21911-69-3 2-[(4-Methylphenyl)amino]acetic acid (HCID 242236)

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Basic information

CAS: 21911-69-3
Standard SMILES: Cc1ccc(NCC(=O)O)cc1
InChIKey: CTFOHWIEFNJZHC-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 2-[(4-Methylphenyl)amino]acetic acid
IUPAC: 2-(4-methylanilino)acetic acid
English name: P-TOLYLAMINO-ACETIC ACID
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

2-[(4-methylphenyl)amino]acetic acid2-((4-methylphenyl)amino)acetic acidRefChem:449290963-459-4p-Tolylamino-acetic acid21911-69-3N-(4-methylphenyl)glycine[(4-methylphenyl)amino]acetic acid2-(p-Tolylamino)acetic acid2-(4-methylanilino)acetic acidP-tolylglycineMFCD00995183

Show more names

N-(3-methylphenyl)glycine

p-TolylglycinGlycine, N-(4-methylphenyl)-NSC50584p-methylphenylglycinep-toluidinoacetic acidEnamine_005140phenylglycine, p-methyl-SCHEMBL498570

Database identifiers

CAS: 21911-69-3
PubChem CID: 242236
DTXSID: DTXSID10944507
EC Number: 963-459-4
Nikkaji: J759.806H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 116 · 116-118 °C
Boiling point: 359.8 · 359.8±25.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
pka: 4.85 · 4.85±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.