4-(Pyrrolidin-1-ylcarbonyl)aniline

HCID 577800CAS 56302-41-1

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(C(=O)N2CCCC2)cc1
InChIKey: WDNQOCWBZBGFHU-UHFFFAOYSA-N
Molecular formula: C11H14N2O
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.11061307

Names & identifiers

Preferred name: 4-(Pyrrolidin-1-ylcarbonyl)aniline
IUPAC: (4-aminophenyl)-pyrrolidin-1-ylmethanone
English name: 4-(PYRROLIDIN-1-YLCARBONYL)ANILINE
Molecular formula: C11H14N2O
Molecular weight: 190.24

Names & synonyms

56302-41-14-(pyrrolidin-1-ylcarbonyl)anilineDTXSID00342018RefChem:289438DTXCID20293098673-492-3(4-aminophenyl)(pyrrolidin-1-yl)methanone4-(1-Pyrrolidinylcarbonyl)aniline(4-aminophenyl)(1-pyrrolidinyl)methanone4-(pyrrolidine-1-carbonyl)aniline(4-aminophenyl)-pyrrolidin-1-ylmethanone(4-Amino-phenyl)-pyrrolidin-1-yl-methanone

Show more names

4-carboxamidopyrrolidinophenyl-anilineMethanone, (4-aminophenyl)(1-pyrrolidinyl)-4-(pyrrolidin-1-ylcarbonyl)aniline(SALTDATA: FREE)

MFCD02046794(4-aminophenyl)-pyrrolidin-1-yl-methanone4-aminophenyl pyrrolidinyl ketone4-(Pyrrolidinocarbonyl)aniline(4-aminophenyl)pyrrolidin-1-yl-methanoneMLS000122032(4-aminobenzoyl)pyrrolidineN-p-aminobenzoyl pyrrolidine

Database identifiers

CAS: 56302-41-1
PubChem CID: 577800
DTXSID: DTXSID00342018
ChEMBL: CHEMBL1329163
EC Number: 673-492-3
Nikkaji: J1.310.822F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Physicochemical properties

Melting point: 181 · 181-183 °C
Boiling point: 391 · 391.0±25.0 °C(Predicted)
Density: 1.195 · 1.195±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.02 · 3.02±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 305 · P305+P351+P338-P280
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.