| CAS Number | 73355-62-1 |
| Catalog Number | AG019USU(AGN-PC-0NKMT2) |
| Chemical Name | 1-benzyl-1-methylurea |
| 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 |
| MDL Number | MFCD09811057 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CN(C(N)=O)CC1=CC=CC=C1 |
| Synonyms | 1-benzyl-1-methylurea,
73355-62-1,
N-methyl-N-benzylurea,
AC1Q3XDN,
SCHEMBL967112,
CTK6H9198,
KDLKRQZILLTMDF-UHFFFAOYSA-N,
ZINC19395662,
AKOS000157900,
MCULE-4722039749,
NE14496,
EN300-42713,
methylbenzylurea,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number