sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid

4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid

CAS No.:
904797-70-2
Catalog Number:
AG006DSM
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG006DSM
Chemical Name:
4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
CAS Number:
904797-70-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD06065527
IUPAC Name:
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C14H19NO3/c1-9(2)11-6-4-5-10(3)14(11)15-12(16)7-8-13(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
GRCUSKVECIIUGY-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1c(C)cccc1C(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties