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Home > Pyridines > 1196146-96-9
1196146-96-9 | 1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2)
CAS No: 1196146-96-9 Catalog No: AG000PAP MDL No:MFCD08061141
Product Description
Catalog Number:
AG000PAP
Chemical Name:
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2)
CAS Number:
1196146-96-9
Molecular Formula:
C14H22Cl2N2
Molecular Weight:
289.2439
MDL Number:
MFCD08061141
IUPAC Name:
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
InChI:
InChI=1S/C14H20N2.2ClH/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16;;/h1-3,5-6,13-15H,4,7-11H2;2*1H
InChI Key:
GZEITIKFRLCEDL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2C(C1)CCCN2.Cl.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.244g/mol
Monoisotopic Mass:
288.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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