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6,7-Dihydropyrrolo[2,1-c][1,2,4]triazole-3-methylamine Hydrochloride

6,7-Dihydropyrrolo[2,1-c][1,2,4]triazole-3-methylamine Hydrochloride - CAS 1171236-13-7

Catalog:	BB067547
Product Name:	6,7-Dihydropyrrolo[2,1-c][1,2,4]triazole-3-methylamine Hydrochloride
CAS:	1171236-13-7
Synonyms:	6,7-Dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine Hydrochloride (1:3)

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanaminetrihydrochloride
Description:	6,7-Dihydropyrrolo[2,1-c][1,2,4]triazole-3-methylamine Hydrochloride
Molecular Weight:	138.17 +(109.38)
Molecular Formula:	C6H10N4·3HCl
Canonical SMILES:	C1CC2=NN=C(N2C1)CN.Cl.Cl.Cl
InChI:	InChI=1S/C6H10N4.3ClH/c7-4-6-9-8-5-2-1-3-10(5)6/h1-4,7H23*1H
InChI Key:	GGAULNFEDJBSEM-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	4
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.02058
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	246.02058
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0