ethyl (2S)-2-((3,5-dichlorophenyl)amino)propanoate

HCID 54318970CAS 1821776-48-0

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Basic information

Standard SMILES: CCOC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1
InChIKey: SQGCTFGYSYZWMQ-ZETCQYMHSA-N
Molecular formula: C11H13Cl2NO2
Average molar mass: 262.13 g/mol

Names & identifiers

Preferred name: ethyl (2S)-2-((3,5-dichlorophenyl)amino)propanoate
IUPAC: ethyl (2S)-2-(3,5-dichloroanilino)propanoate

Names & synonyms

1821776-48-0ethyl (2S)-2-[(3,5-dichlorophenyl)amino]propanoateethyl (2S)-2-((3,5-dichlorophenyl)amino)propanoateRefChem:593023882-300-9N-(3,5-dichlorophenyl)alanine Ethyl EsterN-(3,5dichlorophenyl)alanine ethyl esterethyl(2S)-2-[(3,5-dichlorophenyl)amino]propanoateSCHEMBL4411793SQGCTFGYSYZWMQ-ZETCQYMHSA-NEN300-11976003

Database identifiers

CAS: 1821776-48-0
PubChem CID: 54318970
EC Number: 882-300-9

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 228

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.