CAS 70571-31-2 1-Benzylpiperidine-2,4-dione (HCID 22495541)

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Basic information

CAS: 70571-31-2
Standard SMILES: O=C1CCN(Cc2ccccc2)C(=O)C1
InChIKey: QRJOMPWHYVHSNX-UHFFFAOYSA-N
Molecular formula: C12H13NO2
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.09462866

Names & identifiers

Preferred name: 1-Benzylpiperidine-2,4-dione
IUPAC: 1-benzylpiperidine-2,4-dione
English name: 1-benzylpiperidine-2,4-dione
Molecular formula: C12H13NO2
Molecular weight: 203.24

Names & synonyms

1-BENZYLPIPERIDINE-2,4-DIONE70571-31-2DTXSID70626190RefChem:430041DTXCID10576943830-282-81-benzyl-piperidine-2,4-dioneMFCD118473712,4-Piperidinedione, 1-(phenylmethyl)-1-Benzylpiperidine2,4-Dione1-benzyl-2,4-dioxopiperidineSCHEMBL2223543

Show more names

(phenylmethyl)Piperidinedione, 1-1-benzylpiperidine-2,4-dione1-benzylpiperidine-2,4-dione - [B31535]

CHEMBL4593762QRJOMPWHYVHSNX-UHFFFAOYSA-NAKOS015904412CS-W001620SB12065AS-30845EN300-100497F330733

Database identifiers

CAS: 70571-31-2
PubChem CID: 22495541
DTXSID: DTXSID70626190
ChEMBL: CHEMBL4593762
EC Number: 830-282-8
Nikkaji: J2.070.130G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 256

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 379.2 · 379.2±35.0 °C(Predicted)
Density: 1.203 · 1.203±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 7.82 · 7.82±0.20(Predicted)
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.