Home Aminos 3-(Benzylamino)-3-oxopropionic acid ethyl ester

3-(Benzylamino)-3-oxopropionic acid ethyl ester

CAS No.:
29689-63-2
Catalog Number:
AG002Z3W
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$41
- +
1g
95%
In Stock USA
United States
$82
- +
5g
95%
In Stock USA
United States
$246
- +
Product Description
Catalog Number:
AG002Z3W
Chemical Name:
3-(Benzylamino)-3-oxopropionic acid ethyl ester
CAS Number:
29689-63-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD28128094
IUPAC Name:
ethyl 3-(benzylamino)-3-oxopropanoate
InChI:
InChI=1S/C12H15NO3/c1-2-16-12(15)8-11(14)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChI Key:
MPAGGJGTAABULX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)NCc1ccccc1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties