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1185307-06-5 | 2-Piperazin-1-yl-nicotinonitrile hydrochloride, 98+% C10H13ClN4, MW
CAS No: 1185307-06-5 Catalog No: AG008ZN5 MDL No:
Product Description
Catalog Number:
AG008ZN5
Chemical Name:
2-Piperazin-1-yl-nicotinonitrile hydrochloride, 98+% C10H13ClN4, MW
CAS Number:
1185307-06-5
Molecular Formula:
C10H13ClN4
Molecular Weight:
224.6900
IUPAC Name:
2-piperazin-1-ylpyridine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C10H12N4.ClH/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14;/h1-3,12H,4-7H2;1H
InChI Key:
OBHJUODYIICEMJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCNCC1.Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.692g/mol
Monoisotopic Mass:
224.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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