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Home Nitriles 1-Benzylpiperidine-4-carbonitrile

1-Benzylpiperidine-4-carbonitrile

CAS No.:
62718-31-4
Catalog Number:
AG00EFDB
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$94
- +
10g
95%
In Stock USA
United States
$182
- +
25g
95%
In Stock USA
United States
$375
- +
100g
95%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00EFDB
Chemical Name:
1-Benzylpiperidine-4-carbonitrile
CAS Number:
62718-31-4
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD01540574
IUPAC Name:
1-benzylpiperidine-4-carbonitrile
InChI:
InChI=1S/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
InChI Key:
CKJUFUGVCGDYHH-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties