Home Nitriles 3-Oxo-3-piperidin-1-ylpropanenitrile

3-Oxo-3-piperidin-1-ylpropanenitrile

CAS No.:
15029-30-8
Catalog Number:
AG001MHJ
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$94
- +
10g
95%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$211
- +
Product Description
Catalog Number:
AG001MHJ
Chemical Name:
3-Oxo-3-piperidin-1-ylpropanenitrile
CAS Number:
15029-30-8
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD00006487
IUPAC Name:
3-oxo-3-piperidin-1-ylpropanenitrile
InChI:
InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2
InChI Key:
ANLQHFYDQPMDJY-UHFFFAOYSA-N
SMILES:
N#CCC(=O)N1CCCCC1
EC Number:
239-111-6
NSC Number:
102772
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
3-Oxo-3-(piperidin-1-yl)propane-nitrile. Acta crystallographica. Section E, Structure reports online 20120901
Properties