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4395-98-6 | 4-Cyanopiperidine
CAS No: 4395-98-6 Catalog No: AG003L9K MDL No:MFCD05022468
Product Description
Catalog Number:
AG003L9K
Chemical Name:
4-Cyanopiperidine
CAS Number:
4395-98-6
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD05022468
IUPAC Name:
piperidine-4-carbonitrile
InChI:
InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2
InChI Key:
FSDNTQSJGHSJBG-UHFFFAOYSA-N
SMILES:
N#CC1CCNCC1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers. | Bioorganic & medicinal chemistry letters 20111001 |
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