4-(2-Imidazolyl)aniline - CAS 13682-33-2

Catalog:	BB008430
Product Name:	4-(2-Imidazolyl)aniline
CAS:	13682-33-2
Synonyms:	4-(1H-imidazol-2-yl)aniline; 4-(1H-imidazol-2-yl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(1H-imidazol-2-yl)aniline
Description:	4-(2-Imidazolyl)aniline (CAS# 13682-33-2) is a useful research chemical compound.
Molecular Weight:	159.19
Molecular Formula:	C9H9N3
Canonical SMILES:	C1=CC(=CC=C1C2=NC=CN2)N
InChI:	InChI=1S/C9H9N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2,(H,11,12)
InChI Key:	GSBDHQDPAGRRJE-UHFFFAOYSA-N
LogP:	2.24010

Publication Number	Title	Priority Date
CN-109135526-A	A kind of synthesis technology of epoxidized soybean oil modified polyaspartic acid ester polyurea copolymers	20180720
KR-20190136003-A	Phenylimidazoline compound which has an aminomethyl group, its salt, or the phenyltetrahydropyrimidine compound which has an aminomethyl group, its salt, and those compounds or the manufacturing method of these salts	20170331
US-10398783-B2	Antiproliferative compounds and conjugates made therefrom	20161020
US-2018110873-A1	Antiproliferative compounds and conjugates made therefrom	20161020
US-2019358339-A1	Antiproliferative compounds and conjugates made therefrom	20161020

PMID	Publication Date	Title	Journal
20046753	20080501	Synthesis and Antiulcer Activity Studies of 2-(1'-Iminothioimido Substituted)-1'-Substituted Phenylbenzoic acids	Indian journal of pharmaceutical sciences

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Related Functional Groups

Amines and Anilines

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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:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.079647300
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	159.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2