| CAS Number | 1042782-27-3 |
| Catalog Number | AG019WNA |
| Chemical Name | 1-methyl-1-[(4-methylphenyl)methyl]urea |
| IUPAC Name | 1-methyl-1-[(4-methylphenyl)methyl]urea |
| InChI | InChI=1S/C10H14N2O/c1-8-3-5-9(6-4-8)7-12(2)10(11)13/h3-6H,7H2,1-2H3,(H2,11,13) |
| InChI Key | WXZOHNLFXJLNJV-UHFFFAOYSA-N |
| MDL Number | MFCD11173194 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CN(C(N)=O)CC1=CC=C(C)C=C1 |
| Synonyms | 1-methyl-1-[(4-methylphenyl)methyl]urea,
1042782-27-3,
AC1Q3XBX,
CTK6H9197,
ZINC20264308,
AKOS009096208,
MCULE-2178889687,
NE21825,
EN300-52479,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number