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) |
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 |
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: | 56.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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