| CAS Number | 892157-47-0 |
| Catalog Number | AG019U2Z |
| Chemical Name | 1-(4-aminophenyl)-2,2-dimethylpropan-1-one |
| IUPAC Name | 1-(4-aminophenyl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C11H15NO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3 |
| InChI Key | IMKFGDHZVCABHA-UHFFFAOYSA-N |
| MDL Number | MFCD04119870 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | CC(C(C1=CC=C(N)C=C1)=O)(C)C |
| Synonyms | 1-(4-aminophenyl)-2,2-dimethylpropan-1-one,
892157-47-0,
AC1N5MQR,
SCHEMBL1176747,
ZINC2529425,
AKOS013464539,
MCULE-6478791747,
NE60260,
1-(4-AMINOPHENYL)-2,2-DIMETHYL-1-PROPANONE,
CID4197544,
1-(4-aminophenyl)-2,2-dimethyl-propan-1-one,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number