1-Acetyl-4-(4-aminophenyl)piperazine - CAS 92394-00-8

Catalog:	BB040502
Product Name:	1-Acetyl-4-(4-aminophenyl)piperazine
CAS:	92394-00-8
Synonyms:	1-[4-(4-aminophenyl)-1-piperazinyl]ethanone; 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
Description:	1-Acetyl-4-(4-aminophenyl)piperazine (CAS# 92394-00-8) is a useful research chemical.
Molecular Weight:	219.28
Molecular Formula:	C12H17N3O
Canonical SMILES:	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9,13H2,1H3
InChI Key:	AFVUJJNEILZYJQ-UHFFFAOYSA-N
Boiling Point:	460.7 °C at 760 mmHg
Density:	1.177 g/cm³
Appearance:	Powder
MDL:	MFCD01365904
LogP:	1.52140

Publication Number	Title	Priority Date
US-2021188844-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021108803-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021074251-A1	Pyrrolo[2,3-d]pyrimidine derivatives and their use in the treatment of cancer	20191015
WO-2020183011-A1	Htr1d inhibitors and uses thereof in the treatment of cancer	20190314
CN-107383004-B	2-amino imidazopyridine derivative and preparation and application thereof	20170705

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.137162174
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.137162174
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6