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Home > Other Heterocycles > 1955499-56-5
1955499-56-5 | 3-(1H-1,2,3-TRIAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1955499-56-5 Catalog No: AG01ASZ6 MDL No:MFCD28016989
Product Description
Catalog Number:
AG01ASZ6
Chemical Name:
3-(1H-1,2,3-TRIAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1955499-56-5
Molecular Formula:
C9H15ClN4
Molecular Weight:
214.6952
MDL Number:
MFCD28016989
IUPAC Name:
3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C9H14N4.ClH/c1-2-8-6-9(5-7(1)11-8)13-4-3-10-12-13;/h3-4,7-9,11H,1-2,5-6H2;1H
InChI Key:
IJANANHGZDKOEV-UHFFFAOYSA-N
SMILES:
C1CC2NC1CC(C2)n1ccnn1.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.697g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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