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Home > Pyridines > 151213-39-7
151213-39-7 | 1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (4aS,7aS)-
CAS No: 151213-39-7 Catalog No: AG001N6V MDL No:
Product Description
Catalog Number:
AG001N6V
Chemical Name:
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (4aS,7aS)-
CAS Number:
151213-39-7
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
InChI:
InChI=1S/C14H20N2/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/t13-,14+/m0/s1
InChI Key:
AFYZAHZKOFBVLE-UONOGXRCSA-N
SMILES:
c1ccc(cc1)CN1C[C@@H]2[C@H](C1)CCCN2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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