N-(4-Aminophenyl)propanamide - CAS 59690-89-0

Catalog:	BB030459
Product Name:	N-(4-Aminophenyl)propanamide
CAS:	59690-89-0
Synonyms:	N-(4-aminophenyl)propanamide; N-(4-aminophenyl)propanamide

Technical Data

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Computed Properties

IUPAC Name:	N-(4-aminophenyl)propanamide
Description:	N-(4-Aminophenyl)propanamide (CAS# 59690-89-0) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C9H12N2O
Canonical SMILES:	CCC(=O)NC1=CC=C(C=C1)N
InChI:	InChI=1S/C9H12N2O/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChI Key:	MOUFEEIQCXUUMY-UHFFFAOYSA-N
Boiling Point:	282.7 °C at 760 mmHg
Density:	1.162 g/cm³
Appearance:	Solid
MDL:	MFCD02063079
LogP:	2.27150

Publication Number	Title	Priority Date
CN-108530444-A	A kind of novel NAMPT and IDO double inhibitors and preparation method thereof and medical usage	20180611
CN-108530444-B	Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof	20180611
AU-2016224969-A1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
AU-2016224969-B2	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
CA-2977810-A1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.094963011
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9