3-(2-Pyridyl)aniline - CAS 15889-32-4

Catalog:	BB011472
Product Name:	3-(2-Pyridyl)aniline
CAS:	15889-32-4
Synonyms:	3-(2-pyridinyl)aniline; 3-pyridin-2-ylaniline

Technical Data

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Computed Properties

IUPAC Name:	3-pyridin-2-ylaniline
Description:	3-(2-Pyridyl)aniline (CAS# 15889-32-4) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C11H10N2
Canonical SMILES:	C1=CC=NC(=C1)C2=CC(=CC=C2)N
InChI:	InChI=1S/C11H10N2/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,12H2
InChI Key:	YLNMGMIEOWFPRX-UHFFFAOYSA-N
Boiling Point:	357.549 °C at 760 mmHg
Density:	1.133 g/cm³
MDL:	MFCD00956760
LogP:	2.91200

Publication Number	Title	Priority Date
WO-2021105906-A1	Aryl and heteroaryl compounds, and therapeutic uses thereof in conditions associated with the alteration of the activity of galactocerebrosidase	20191125
EP-3757100-A1	Triazine compounds substituted with bulky groups	20190625
WO-2020260406-A1	Triazine compounds substituted with bulky groups	20190625
WO-2020072580-A1	Matriptase 2 inhibitors and uses thereof	20181002
CN-112996529-A	Matriptase 2 inhibitor and application thereof	20181002

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	158
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9