Home Other Building Blocks 2-PHENYLBUTYRYLUREA

2-PHENYLBUTYRYLUREA

CAS No.:
90-49-3
Catalog Number:
AG00GR9L
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
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Product Description
Catalog Number:
AG00GR9L
Chemical Name:
2-PHENYLBUTYRYLUREA
CAS Number:
90-49-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD00069050
IUPAC Name:
N-carbamoyl-2-phenylbutanamide
InChI:
InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
InChI Key:
AJOQSQHYDOFIOX-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C(=O)NC(=O)N
EC Number:
201-998-2
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Therapeutic drug monitoring of old and newer anti-epileptic drugs. Clinical chemistry and laboratory medicine 20040101
Properties