ChemicalBook--->CAS DataBase List--->94577-77-2

94577-77-2

94577-77-2 Structure

94577-77-2 Structure
IdentificationBack Directory
[Name]

3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylMethyl)-
[CAS]

94577-77-2
[Synonyms]

1-benzyl-4-oxopyrrolidine-3-carboxylic acid
4-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylMethyl)-
[Molecular Formula]

C12H13NO3
[MDL Number]

MFCD17012782
[MOL File]

94577-77-2.mol
[Molecular Weight]

219.24
Chemical PropertiesBack Directory
[Boiling point ]

405.9±45.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

Store at 0-8 °C
[form ]

solid
[pka]

2.58±0.20(Predicted)
[Appearance]

white solid
[InChI]

1S/C12H13NO3/c14-11-8-13(7-10(11)12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
[InChIKey]

WAQWKBNCMREKAE-UHFFFAOYSA-N
[SMILES]

O=C1C(C(O)=O)CN(CC2=CC=CC=C2)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylMethyl)-(94577-77-2)1HNMR
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