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Home > Pyridines > 1187927-49-6
1187927-49-6 | 2-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE 2HCL
CAS No: 1187927-49-6 Catalog No: AG003GL8 MDL No:MFCD11858531
Product Description
Catalog Number:
AG003GL8
Chemical Name:
2-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE 2HCL
CAS Number:
1187927-49-6
Molecular Formula:
C14H22Cl2N2
Molecular Weight:
289.2439
MDL Number:
MFCD11858531
IUPAC Name:
2-benzyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride
InChI:
InChI=1S/C14H20N2.2ClH/c1-2-4-12(5-3-1)9-16-10-13-6-7-15-8-14(13)11-16;;/h1-5,13-15H,6-11H2;2*1H
InChI Key:
DLCFKBJYCLAGNU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2C(C1)CCNC2.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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