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Home > Pyridines > 1017782-85-2
1017782-85-2 | 2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS No: 1017782-85-2 Catalog No: AG00IUYM MDL No:MFCD09972255
Product Description
Catalog Number:
AG00IUYM
Chemical Name:
2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS Number:
1017782-85-2
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
MDL Number:
MFCD09972255
IUPAC Name:
2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C12H16N4O/c13-10-11-2-1-3-14-12(11)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
InChI Key:
PXVIXXKRIPFJGL-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ncccc1C#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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