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Home > Pyridines > 313639-98-4
313639-98-4 | 6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride, cis
CAS No: 313639-98-4 Catalog No: AG01BHM5 MDL No:
Product Description
Catalog Number:
AG01BHM5
Chemical Name:
6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride, cis
CAS Number:
313639-98-4
Molecular Formula:
C14H17ClN2O2
Molecular Weight:
280.7500
IUPAC Name:
(4aR,7aS)-6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione;hydrochloride
InChI:
InChI=1S/C14H16N2O2.ClH/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12,15H,4,7-9H2;1H/t11-,12+;/m1./s1
InChI Key:
KHRXVYMMSYHKGU-LYCTWNKOSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)[C@H]2[C@@H]1NCCC2.Cl
EC Number:
608-607-8
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.752g/mol
Monoisotopic Mass:
280.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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