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Home Nitriles 4-(4-Methyl-piperidin-1-yl)-benzonitrile

4-(4-Methyl-piperidin-1-yl)-benzonitrile

CAS No.:
85872-87-3
Catalog Number:
AG00IDSW
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$107
- +
1g
95%
1 week
United States
$257
- +
5g
95%
1 week
United States
$637
- +
Product Description
Catalog Number:
AG00IDSW
Chemical Name:
4-(4-Methyl-piperidin-1-yl)-benzonitrile
CAS Number:
85872-87-3
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD03854611
IUPAC Name:
4-(4-methylpiperidin-1-yl)benzonitrile
InChI:
InChI=1S/C13H16N2/c1-11-6-8-15(9-7-11)13-4-2-12(10-14)3-5-13/h2-5,11H,6-9H2,1H3
InChI Key:
JDTREFVKULGGHT-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1)C#N
Properties
Complexity:
237  
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:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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