3-(4-Pyridyl)aniline - CAS 40034-44-4

Catalog:	BB024263
Product Name:	3-(4-Pyridyl)aniline
CAS:	40034-44-4
Synonyms:	3-pyridin-4-ylaniline; 3-pyridin-4-ylaniline

Technical Data

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Computed Properties

IUPAC Name:	3-pyridin-4-ylaniline
Description:	3-(4-Pyridyl)aniline (CAS# 40034-44-4) is a reactant in the preparation of N-alkylphenylalaninamides of pyridinylphenyl- and oxobipyridinylamines as human GPR 142 agonists for potential use as antidiabetic agents.
Molecular Weight:	170.21
Molecular Formula:	C11H10N2
Canonical SMILES:	C1=CC(=CC(=C1)N)C2=CC=NC=C2
InChI:	InChI=1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChI Key:	BDSBSHZVSVKIHM-UHFFFAOYSA-N
Boiling Point:	353.6 °C at 760 mmHg
Density:	1.133 g/cm³
Appearance:	Solid
LogP:	2.91200

Publication Number	Title	Priority Date
WO-2020260406-A1	Triazine compounds substituted with bulky groups	20190625
EP-3502106-A1	Triazine compounds substituted with bulky groups	20171221
EP-3502106-B1	Triazine compounds substituted with bulky groups	20171221
EP-3483157-A1	Compounds comprising triazine group, fluorene-group and hetero-fluorene group	20171109
AU-2018265148-A1	Diarylureas as CB1 allosteric modulators	20170512

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.084398327
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8