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1881328-01-3 | 2-(piperazin-1-yl)quinazolin-4(3H)-one dihydrochloride
CAS No: 1881328-01-3 Catalog No: AG01FMPJ MDL No:MFCD29993819
Product Description
Catalog Number:
AG01FMPJ
Chemical Name:
2-(piperazin-1-yl)quinazolin-4(3H)-one dihydrochloride
CAS Number:
1881328-01-3
Molecular Formula:
C12H16Cl2N4O
Molecular Weight:
303.1876
MDL Number:
MFCD29993819
IUPAC Name:
2-piperazin-1-yl-3H-quinazolin-4-one;dihydrochloride
InChI:
InChI=1S/C12H14N4O.2ClH/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16;;/h1-4,13H,5-8H2,(H,14,15,17);2*1H
InChI Key:
ZHWKGYRYZWMKAW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cccc2)N1CCNCC1.Cl.Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
303.187g/mol
Monoisotopic Mass:
302.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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