Ethyl 2-(benzylideneamino)acetate

HCID 357745

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Basic information

CAS: 40682-54-0
Standard SMILES: CCOC(=O)CN=Cc1ccccc1
InChIKey: PRQUMJAKVLLZHP-UHFFFAOYSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol
Monoisotopic mass: 191.09462866

Names & identifiers

Preferred name: Ethyl 2-(benzylideneamino)acetate
IUPAC: ethyl 2-(benzylideneamino)acetate
English name: ([1-Phenyl-meth-(E)-ylidene]-amino)-acetic acid ethyl ester
Molecular formula: C11H13NO2
Molecular weight: 191.23

Names & synonyms

40682-54-0ethyl 2-(benzylideneamino)acetateN-Benzylideneglycine Ethyl Ester([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ETHYL ESTEREthyl N-Benzylideneglycinatebenzylideneglycine ethyl esterMFCD00206541ethyl 2-[(phenylmethylidene)amino]acetate133038-44-5(E)-ethyl 2-(benzylideneamino)acetateN-(Phenylmethylene)glycine Ethyl EsterNSC617266

Show more names

RMA-362Ethyl 2-(benzylideneamino)2-[(phenylmethylene)amino]acetic acid ethyl ester

ETHYL 2-[(E)-(PHENYLMETHYLIDENE)AMINO]ACETATENSC 617266Glycine, N-(phenylmethylene)-, ethyl esterGlycine ethyl ester-benzylimineBenzylidene Glycine Ethyl EsterSCHEMBL1973579SCHEMBL1973580SCHEMBL2617527

Database identifiers

CAS: 40682-54-0
PubChem CID: 357745
Nikkaji: J3.129.368E、J724.803B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 195

Physicochemical properties

Boiling point: 98 °C · 98 °C(Press: 0.075 Torr)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
solubility: soluble in Chloroform, Dichloromethane, Ethyl Acetate
pka: 2.7 · 2.70±0.50(Predicted)
form: Liquid
color: Clear
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313