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Home > Pyridines > 1803601-14-0
1803601-14-0 | octahydro-1H-pyrido[1,2-a]piperazine-3-carbonitrile dihydrochloride
CAS No: 1803601-14-0 Catalog No: AG01BBOY MDL No:MFCD28506078
Product Description
Catalog Number:
AG01BBOY
Chemical Name:
octahydro-1H-pyrido[1,2-a]piperazine-3-carbonitrile dihydrochloride
CAS Number:
1803601-14-0
Molecular Formula:
C9H17Cl2N3
Molecular Weight:
238.1574
MDL Number:
MFCD28506078
IUPAC Name:
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine-3-carbonitrile;dihydrochloride
InChI:
InChI=1S/C9H15N3.2ClH/c10-5-8-7-12-4-2-1-3-9(12)6-11-8;;/h8-9,11H,1-4,6-7H2;2*1H
InChI Key:
CBBHAYXWKWNCCW-UHFFFAOYSA-N
SMILES:
N#CC1NCC2N(C1)CCCC2.Cl.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.156g/mol
Monoisotopic Mass:
237.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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