CAS 34129-52-7 3-(3,4-Dichloroanilino)butanoic acid (HCID 294810)

Substructure search Find similar structures

Basic information

CAS: 34129-52-7
Standard SMILES: CC(CC(=O)O)Nc1ccc(Cl)c(Cl)c1
InChIKey: FQQKIYYXVGSHRK-UHFFFAOYSA-N
Molecular formula: C10H11Cl2NO2
Average molar mass: 248.1 g/mol
Monoisotopic mass: 247.01668395

Names & identifiers

Preferred name: 3-(3,4-Dichloroanilino)butanoic acid
IUPAC: 3-(3,4-dichloroanilino)butanoic acid
English name: Butanoic acid,3-[(3,4-dichlorophenyl)amino]-
Molecular formula: C10H11Cl2NO2
Molecular weight: 248.10584

Names & synonyms

3-(3,4-dichloroanilino)butanoic acid34129-52-7DTXSID30303995RefChem:273986DTXCID30255127NSC163858SCHEMBL9703791FQQKIYYXVGSHRK-UHFFFAOYSA-N3-(3,4-dichloroanilino)butyric acidAKOS0095683243-(3,4-dichloroanilino) butyric acidNSC-163858

Show more names

Butanoic acid,3-[(3,4-dichlorophenyl)amino]-

DB-0990483-(3,4-DICHLORO-PHENYLAMINO)-BUTYRIC ACID

Database identifiers

CAS: 34129-52-7
PubChem CID: 294810
DTXSID: DTXSID30303995
EC Number: 148-754-0

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.