3-(1H-Tetrazol-5-yl)benzylamine - CAS 765877-97-2

Catalog:	BB035624
Product Name:	3-(1H-Tetrazol-5-yl)benzylamine
CAS:	765877-97-2
Synonyms:	[3-(2H-tetrazol-5-yl)phenyl]methanamine; [3-(2H-tetrazol-5-yl)phenyl]methanamine

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Computed Properties

IUPAC Name:	[3-(2H-tetrazol-5-yl)phenyl]methanamine
Description:	3-(1H-Tetrazol-5-yl)benzylamine (CAS# 765877-97-2) is a useful research chemical.
Molecular Weight:	175.19
Molecular Formula:	C8H9N5
Canonical SMILES:	C1=CC(=CC(=C1)CN)C2=NNN=N2
InChI:	InChI=1S/C8H9N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,5,9H2,(H,10,11,12,13)
InChI Key:	CRCMTYUJTYRWAX-UHFFFAOYSA-N
Boiling Point:	413.3 °C at 760 mmHg
Density:	1.32 g/cm³
LogP:	1.02570

Publication Number	Title	Priority Date
EA-023259-B1	INDOL CONNECTIONS OR THEIR ANALOGUES USEFUL FOR THE TREATMENT OF AGE MAKULAR DEGENERATION (AMD)	20110104
EP-2345933-A1	Positive photosensitive resin composition for spray coating and method for producing through electrode using same	20081020
US-2014113448-A1	Positive photosensitive resin composition for spray coating and method for producing through electrode using the same	20081020
US-9005876-B2	Positive photosensitive resin composition for spray coating and method for producing through electrode using the same	20081020
EP-2309329-B1	Positive-type photosensitive resin composition, cured film and its use as protective film, as insulating film, in semiconductor device and display device	20080722

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.08579531
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.08579531
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0