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39640-05-6 | piperazin-1-yl(pyridin-4-yl)methanone;dihydrochloride
CAS No: 39640-05-6 Catalog No: AG00I7SM MDL No:MFCD07687282
Product Description
Catalog Number:
AG00I7SM
Chemical Name:
piperazin-1-yl(pyridin-4-yl)methanone;dihydrochloride
CAS Number:
39640-05-6
Molecular Formula:
C10H15Cl2N3O
Molecular Weight:
264.1516
MDL Number:
MFCD07687282
IUPAC Name:
piperazin-1-yl(pyridin-4-yl)methanone;dihydrochloride
InChI:
InChI=1S/C10H13N3O.2ClH/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H
InChI Key:
QBPKUQIUNJYTGA-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)N1CCNCC1.Cl.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.15g/mol
Monoisotopic Mass:
263.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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