| CAS Number | 852027-47-5 |
| Catalog Number | AG019WVU |
| Chemical Name | 1-(4-Methylphenyl)-3-prop-2-yn-1-ylurea |
| IUPAC Name | 1-(4-methylphenyl)-3-prop-2-ynylurea |
| InChI | InChI=1S/C11H12N2O/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3,(H2,12,13,14) |
| InChI Key | OHSOAMYXSOABOR-UHFFFAOYSA-N |
| MDL Number | MFCD07296271 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC1=CC=C(NC(NCC#C)=O)C=C1 |
| Synonyms | 1-(4-methylphenyl)-3-(prop-2-yn-1-yl)urea,
1-(4-methylphenyl)-3-prop-2-yn-1-ylurea,
852027-47-5,
AC1NJ22P,
AC1Q2MH8,
SCHEMBL3866356,
CTK5J0797,
HMS1768C01,
ZINC5934136,
AKOS008987521,
MCULE-7673708742,
NE31021,
1-(4-methylphenyl)-3-prop-2-ynylurea,
NCGC00322451-01,
EN300-53293,
AB01317669-02,
Z85920003,
ZINC05934136,
CID4840410,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number