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

Name: 1-(3-Aminophenyl)pyrrolidin-2-one
Brand: BOC Sciences
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Catalog:	BB021123
Product Name:	1-(3-Aminophenyl)pyrrolidin-2-one
CAS:	31992-43-5
Synonyms:	1-(3-aminophenyl)pyrrolidin-2-one

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Computed Properties

IUPAC Name:	1-(3-aminophenyl)pyrrolidin-2-one
Description:	1-(3-Aminophenyl)pyrrolidin-2-one (CAS# 31992-43-5) is a useful research chemical.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	C1CC(=O)N(C1)C2=CC(=CC=C2)N
InChI:	InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2
InChI Key:	ZQGGRBIDRBYUJS-UHFFFAOYSA-N
Boiling Point:	464.5 °C at 760 mmHg
Density:	1.234 g/cm³
MDL:	MFCD00468694
LogP:	2.04180

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Related Functional Groups

Pyrrolidines

[5747-92-2]C14H19NO2
Ethyl 1-benzyl-pyrrolidine-3-carboxylate
[36821-26-8]C7H11NO3
Ethyl 2-oxopyrrolidine-3-carboxylate
[198959-37-4]C6H12ClNO2
Methyl pyrrolidine-3-carboxylate hydrochloride
[57616-69-0]C7H15Cl2N
N-(3-Chloropropyl)pyrrolidine Hydrochloride
[6739-80-6]C8H13NO3
4-(2-Oxopyrrolidin-1-yl)butanoic acid
[22558-37-8]C10H9Cl2NO
4-(2,6-Dichlorophenyl)pyrrolidin-2-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019220101-A1	Kinase inhibitors	20180515
CN-112119077-A	Kinase inhibitors	20180515
EP-3793996-A1	Kinase inhibitors	20180515
US-2021269417-A1	Kinase Inhibitors	20180515
EP-3319955-B1	6-amino-quinoline-3-carbonitrils as cot modulators	20150706

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7