1-(3-Aminophenyl)piperazin-2-one - CAS 1022128-80-8

Catalog:	BB000810
Product Name:	1-(3-Aminophenyl)piperazin-2-one
CAS:	1022128-80-8
Synonyms:	1-(3-aminophenyl)-2-piperazinone; 1-(3-aminophenyl)piperazin-2-one

Technical Data

IUPAC Name:	1-(3-aminophenyl)piperazin-2-one
Description:	1-(3-Aminophenyl)piperazin-2-one (CAS# 1022128-80-8) is a versatile reactant used in the preparation of pyrimidine derivatives as KDR inhibitor useful in the treatment of angiogenesis related diseases.
Molecular Weight:	191.23
Molecular Formula:	C10H13N3O
Canonical SMILES:	C1CN(C(=O)CN1)C2=CC(=CC=C2)N
InChI:	InChI=1S/C10H13N3O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7,11H2
InChI Key:	PGUYPEBXXBSLCE-UHFFFAOYSA-N
Boiling Point:	501.4 °C at 760 mmHg
Density:	1.221 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.18000

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.105862047
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	191.105862047
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0