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4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride

4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride - CAS 177595-28-7

Name: 4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013310
Product Name:	4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride
CAS:	177595-28-7
Synonyms:	[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride; [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride
Description:	4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride (CAS# 177595-28-7) is a useful research chemical.
Molecular Weight:	211.65
Molecular Formula:	C8H10ClN5
Canonical SMILES:	C1=CC(=CC=C1CN)C2=NNN=N2.Cl
InChI:	InChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H
InChI Key:	AYGATWAUTLJNTK-UHFFFAOYSA-N
LogP:	1.82770

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Related Functional Groups

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2-Amino-3-nitro-6-(trifluoromethyl)pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2016144704-A2	Heterocyclic autotaxin inhibitor compounds	20150311
CA-2914997-A1	4-alkynyl imidazole derivative and medicine comprising same as active ingredient	20130612
DK-3009426-T3	4-ALKYNYL-IMIDAZOLE DERIVATIVE AND MEDICINE COMPREHENSIVE AS AN ACTIVE INGREDIENT	20130612
EP-3009426-A1	4-alkynyl imidazole derivative and medicine comprising same as active ingredient	20130612
EP-3009426-B1	4-alkynyl imidazole derivative and medicine comprising same as active ingredient	20130612

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0624730
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	211.0624730
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0