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288251-82-1 | Benzonitrile, 5-amino-2-(4-methyl-1-piperazinyl)-
CAS No: 288251-82-1 Catalog No: AG002WNX MDL No:MFCD11852581
Product Description
Catalog Number:
AG002WNX
Chemical Name:
Benzonitrile, 5-amino-2-(4-methyl-1-piperazinyl)-
CAS Number:
288251-82-1
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD11852581
IUPAC Name:
5-amino-2-(4-methylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)12-3-2-11(14)8-10(12)9-13/h2-3,8H,4-7,14H2,1H3
InChI Key:
LAPZOCNBYMFZKO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1N1CCN(CC1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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