5-Tetrazolemethanamine Hydrochloride - CAS 118764-13-9

Catalog:	BB004259
Product Name:	5-Tetrazolemethanamine Hydrochloride
CAS:	118764-13-9
Synonyms:	2H-tetrazol-5-ylmethanamine;hydrochloride; 2H-tetrazol-5-ylmethanamine;hydrochloride

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Computed Properties

IUPAC Name:	2H-tetrazol-5-ylmethanamine;hydrochloride
Description:	5-Tetrazolemethanamine Hydrochloride (CAS# 118764-13-9 ) is a useful research chemical.
Molecular Weight:	135.56
Molecular Formula:	C2H6ClN5
Canonical SMILES:	C(C1=NNN=N1)N.Cl
InChI:	InChI=1S/C2H5N5.ClH/c3-1-2-4-6-7-5-2;/h1,3H2,(H,4,5,6,7);1H
InChI Key:	AQMHBDAJXUUMQA-UHFFFAOYSA-N
LogP:	0.16070

Publication Number	Title	Priority Date
AU-2016229268-A1	Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof	20150306
CA-2977947-A1	Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof	20150306
JP-6697809-B2	Fluorinated lysyl oxidase-like 2 inhibitors and their use	20150306
US-10150732-B2	Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof	20150306
US-10570094-B2	Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof	20150306

PMID	Publication Date	Title	Journal
21940173	20111101	Aminomethyltetrazoles as potential inhibitors of the γ-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	54
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.0311729
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	135.0311729
Rotatable Bond Count:	1
Topological Polar Surface Area:	80.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0