3-Piperidin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine hydrochloride - CAS 1282479-60-0
Catalog: |
BB053218 |
Product Name: |
3-Piperidin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine hydrochloride |
CAS: |
1282479-60-0 |
Synonyms: |
3-Piperidin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepinehydrochloride |
IUPAC Name: | 3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;hydrochloride |
Molecular Weight: | 256.77 |
Molecular Formula: | C12H21ClN4 |
Canonical SMILES: | C1CCC2=NN=C(N2CC1)C3CCNCC3.Cl |
InChI: | InChI=1S/C12H20N4.ClH/c1-2-4-11-14-15-12(16(11)9-3-1)10-5-7-13-8-6-10;/h10,13H,1-9H2;1H |
InChI Key: | FMFRYJPIVOVLRE-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.1454744 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.1454744 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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