Home Carboxys 1-[(4-Methylphenyl)amino]cyclopentanecarboxylic acid

1-[(4-Methylphenyl)amino]cyclopentanecarboxylic acid

CAS No.:
861317-20-6
Catalog Number:
AG008FDY
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG008FDY
Chemical Name:
1-[(4-Methylphenyl)amino]cyclopentanecarboxylic acid
CAS Number:
861317-20-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05864550
IUPAC Name:
1-(4-methylanilino)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H17NO2/c1-10-4-6-11(7-5-10)14-13(12(15)16)8-2-3-9-13/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)
InChI Key:
VTYHRBPLKFUBFN-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Nc1ccc(cc1)C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties