Home Nitriles 2-Piperidinylacetonitrile

2-Piperidinylacetonitrile

CAS No.:
85561-54-2
Catalog Number:
AG00J2RK
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00J2RK
Chemical Name:
2-Piperidinylacetonitrile
CAS Number:
85561-54-2
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD13176216
IUPAC Name:
2-piperidin-2-ylacetonitrile
InChI:
InChI=1S/C7H12N2/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-4,6H2
InChI Key:
NFZNSNZSCQCOCU-UHFFFAOYSA-N
SMILES:
N#CCC1CCCCN1
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
The use of liquid chromatography-atmospheric pressure chemical ionization mass spectrometry to explore the in vitro metabolism of cyanoalkyl piperidine derivatives. Biomedical chromatography : BMC 20050401
Properties