CAS 2521-89-3 Glycine, N-(4-chlorophenyl)-, ethyl ester (HCID 302644)

Substructure search Find similar structures

Basic information

CAS: 2521-89-3
Standard SMILES: CCOC(=O)CNc1ccc(Cl)cc1
InChIKey: ZNVVKZDSSWMTGQ-UHFFFAOYSA-N
Molecular formula: C10H12ClNO2
Average molar mass: 213.66 g/mol
Monoisotopic mass: 213.0556563

Names & identifiers

Preferred name: Glycine, N-(4-chlorophenyl)-, ethyl ester
IUPAC: ethyl 2-(4-chloroanilino)acetate
English name: glycine, N-(4-chlorophenyl)-, ethyl ester
Molecular formula: C10H12ClNO2
Molecular weight: 213.66

Names & synonyms

2521-89-3Glycine, N-(4-chlorophenyl)-, ethyl esterRefChem:1086033ETHYL N-(4-CHLOROPHENYL)GLYCINATEethyl 2-(4-chloroanilino)acetateethyl (4-chlorophenyl)glycinateethyl 2-[(4-chlorophenyl)amino]acetateEthyl 2-((4-chlorophenyl)amino)acetateMFCD00461430N-(4-Chlorophenyl)glycine ethyl esterNSC 190326NSC190326

Show more names

SCHEMBL657243ethyl (4-chloroanilino)acetateDTXSID30307175ZNVVKZDSSWMTGQ-UHFFFAOYSA-NALBB-013480ethyl n-(4-chlorophenyl)-glycinateEthyl 2-(4-chlorophenylamino)acetateAKOS000254440

Database identifiers

CAS: 2521-89-3
PubChem CID: 302644
DTXSID: DTXSID30307175
Nikkaji: J1.025.385C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 179

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362