Home Other Building Blocks 1-benzyl-1-methylurea

1-benzyl-1-methylurea

CAS No.:
73355-62-1
Catalog Number:
AG019USU
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG019USU
Chemical Name:
1-benzyl-1-methylurea
CAS Number:
73355-62-1
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD09811057
IUPAC Name:
1-benzyl-1-methylurea
InChI:
InChI=1S/C9H12N2O/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChI Key:
KDLKRQZILLTMDF-UHFFFAOYSA-N
SMILES:
CN(C(=O)N)Cc1ccccc1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Preparation and unique circular dichroism phenomena of urea-functionalized self-folding resorcinarenes bearing chiral termini through asymmetric hydrogen-bonding belts. Organic & biomolecular chemistry 20050221
Properties