5-Aminotetrazole monohydrate - CAS 15454-54-3

Catalog:	BB011025
Product Name:	5-Aminotetrazole monohydrate
CAS:	15454-54-3
Synonyms:	2H-tetrazol-5-amine;hydrate

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Computed Properties

IUPAC Name:	2H-tetrazol-5-amine;hydrate
Description:	5-Aminotetrazole monohydrate (CAS# 15454-54-3) is a useful research chemical.
Molecular Weight:	103.08
Molecular Formula:	CH3N5 · H2O
Canonical SMILES:	C1(=NNN=N1)N.O
InChI:	InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
InChI Key:	JVSMPWHQUPKRNV-UHFFFAOYSA-N
Boiling Point:	488.8 °C at 760 mmHg
Melting Point:	198-204 °C dec.
Purity:	95 %
LogP:	-0.70120

Publication Number	Title	Priority Date
CN-113150884-A	Preparation method of fluorine-containing cleaning liquid composition	20210427
CN-113150885-A	Fluorine-containing cleaning liquid composition	20210427
CN-113161234-A	Application of fluorine-containing cleaning liquid composition	20210427
CN-113186043-A	Fluorine-containing cleaning liquid composition and application thereof	20210427
CN-113186044-A	Preparation method of fluorine-containing cleaning liquid composition	20210427

PMID	Publication Date	Title	Journal
21783395	20110901	Zeeman shift--a tool for assignment of 14N NQR lines of nonequivalent 14N atoms in powder samples	Journal of magnetic resonance (San Diego, Calif. : 1997)
20227281	20100401	Regioselective one-pot synthesis and anti-proliferative and apoptotic effects of some novel tetrazolo[1,5-a]pyrimidine derivatives	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (90.48%): 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

Complexity:	43.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.04940980
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	103.04940980
Rotatable Bond Count:	0
Topological Polar Surface Area:	81.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0