CAS 31992-43-5 1-(3-Aminophenyl)pyrrolidin-2-one (HCID 683956)

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Basic information

CAS: 31992-43-5
Standard SMILES: Nc1cccc(N2CCCC2=O)c1
InChIKey: ZQGGRBIDRBYUJS-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Names & identifiers

Preferred name: 1-(3-Aminophenyl)pyrrolidin-2-one
IUPAC: 1-(3-aminophenyl)pyrrolidin-2-one
English name: 1-(3-Aminophenyl)pyrrolidin-2-one
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

1-(3-aminophenyl)pyrrolidin-2-one31992-43-5DTXSID60350593RefChem:423305DTXCID00301660828-616-21-(3-Amino-phenyl)-pyrrolidin-2-one1-(3-aminophenyl)-2-pyrrolidinoneMFCD004686942-Pyrrolidinone, 1-(3-aminophenyl)-F2148-0021Oprea1_818804

Show more names

1-(3-aminophenyl)-2-pyrrolidone1-(3-aminophenyl)pyrrolidin-2-one(SALTDATA: FREE)

SCHEMBL5198561-(m-aminophenyl)-2-pyrrolidinoneSMSSF-0017750ALBB-005458SBB010598STK500352AKOS000199749ST070537

Database identifiers

CAS: 31992-43-5
PubChem CID: 683956
DTXSID: DTXSID60350593
EC Number: 828-616-2

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 105 · 105-107 °C(Solv: benzene (71-43-2))
Boiling point: 205 · 205-210 °C(Press: 1 Torr)
Density: 1.234 · 1.234±0.06 g/cm3(Predicted)
pka: 4.22 · 4.22±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

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.