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1803598-04-0 | 1H-Pyrrolo[3,4-c]pyridine, octahydro-5-methyl-, hydrochloride (1:2)
CAS No: 1803598-04-0 Catalog No: AG0021X4 MDL No:MFCD28954108
Product Description
Catalog Number:
AG0021X4
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine, octahydro-5-methyl-, hydrochloride (1:2)
CAS Number:
1803598-04-0
Molecular Formula:
C8H18Cl2N2
Molecular Weight:
213.1479
MDL Number:
MFCD28954108
IUPAC Name:
5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride
InChI:
InChI=1S/C8H16N2.2ClH/c1-10-3-2-7-4-9-5-8(7)6-10;;/h7-9H,2-6H2,1H3;2*1H
InChI Key:
XVKMGZXKEKSORE-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)CNC2.Cl.Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.146g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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