| CAS Number | 72531-19-2 |
| Catalog Number | AG019MQB(AGN-PC-0NJDTF) |
| Chemical Name | 1-(4-acetylphenyl)-3-(propan-2-yl)urea |
| IUPAC Name | 1-(4-acetylphenyl)-3-propan-2-ylurea |
| InChI | InChI=1S/C12H16N2O2/c1-8(2)13-12(16)14-11-6-4-10(5-7-11)9(3)15/h4-8H,1-3H3,(H2,13,14,16) |
| InChI Key | TYNBENCIDTUZFW-UHFFFAOYSA-N |
| MDL Number | MFCD06115045 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | CC(NC(NC1=CC=C(C(C)=O)C=C1)=O)C |
| Synonyms | 72531-19-2,
1-(4-acetylphenyl)-3-(propan-2-yl)urea,
N-(4-acetylphenyl)-N'-isopropylurea,
AC1Q1Q8O,
SCHEMBL9242414,
CTK2G2226,
DTXSID30502325,
ZINC20209503,
AKOS009146469,
MCULE-9700639830,
NE13096,
N-(4-Acetylphenyl)-N'-propan-2-ylurea,
EN300-36937,
Urea, N-(4-acetylphenyl)-N'-(1-methylethyl)-,
1-(4-acetylphenyl)-3-propan-2-ylurea,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number