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Home > Pyridines > 1017782-95-4
1017782-95-4 | 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS No: 1017782-95-4 Catalog No: AG00J084 MDL No:MFCD09972262
Product Description
Catalog Number:
AG00J084
Chemical Name:
6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS Number:
1017782-95-4
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
MDL Number:
MFCD09972262
IUPAC Name:
6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C12H16N4O/c13-9-11-1-2-12(14-10-11)16-5-3-15(4-6-16)7-8-17/h1-2,10,17H,3-8H2
InChI Key:
FBIAEMRQPKPJLV-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cn1)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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