Home Aminos 2-Phenylamino-malonic acid diethyl ester

2-Phenylamino-malonic acid diethyl ester

CAS No.:
6414-58-0
Catalog Number:
AG00EECY
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95+%
1 week
United States
$52
- +
Product Description
Catalog Number:
AG00EECY
Chemical Name:
2-Phenylamino-malonic acid diethyl ester
CAS Number:
6414-58-0
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00122281
IUPAC Name:
diethyl 2-anilinopropanedioate
InChI:
InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)14-10-8-6-5-7-9-10/h5-9,11,14H,3-4H2,1-2H3
InChI Key:
RUEYBBPBTGHLNO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Nc1ccccc1
NSC Number:
174010
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties