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Home > Pyridines > 1354963-46-4
1354963-46-4 | 3-(piperidin-1-ylmethyl)pyridine-2-carbonitrile hydrochloride
CAS No: 1354963-46-4 Catalog No: AG019SUP MDL No:MFCD20731133
Product Description
Catalog Number:
AG019SUP
Chemical Name:
3-(piperidin-1-ylmethyl)pyridine-2-carbonitrile hydrochloride
CAS Number:
1354963-46-4
Molecular Formula:
C12H16ClN3
Molecular Weight:
237.7285
MDL Number:
MFCD20731133
IUPAC Name:
3-(piperidin-1-ylmethyl)pyridine-2-carbonitrile;hydrochloride
InChI:
InChI=1S/C12H15N3.ClH/c13-9-12-11(5-4-6-14-12)10-15-7-2-1-3-8-15;/h4-6H,1-3,7-8,10H2;1H
InChI Key:
JBYHVIQXMLPIOZ-UHFFFAOYSA-N
SMILES:
N#Cc1ncccc1CN1CCCCC1.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.731g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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