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88654-16-4 | 4-Piperidinecarbonitrile, 1-ethyl-
CAS No: 88654-16-4 Catalog No: AG0047W7 MDL No:
Product Description
Catalog Number:
AG0047W7
Chemical Name:
4-Piperidinecarbonitrile, 1-ethyl-
CAS Number:
88654-16-4
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
IUPAC Name:
1-ethylpiperidine-4-carbonitrile
InChI:
InChI=1S/C8H14N2/c1-2-10-5-3-8(7-9)4-6-10/h8H,2-6H2,1H3
InChI Key:
KVORHMHIZDZPCJ-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)CC
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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