| CAS Number | 1215017-84-7 |
| Catalog Number | AG01EJDB |
| Chemical Name | Methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate |
| IUPAC Name | methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate |
| InChI | InChI=1S/C12H15NO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3 |
| InChI Key | NGAUPYHKVCKENR-UHFFFAOYSA-N |
| MDL Number | MFCD24627542 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | COC(C1(C2=CC=C(N)C=C2)CCC1)=O |
| Synonyms | 1-(4-amino-phenyl)-cyclobutanecarboxylic acid methyl ester,
1215017-84-7,
SCHEMBL2267755,
NGAUPYHKVCKENR-UHFFFAOYSA-N,
MFCD24627542,
ZINC118492566,
methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate,
1-(4-amino-phenyl)cyclobutanecarboxylic acid methyl ester,
1-(4-aminophenyl)-cyclo-butanecarboxylic acid methyl ester,
1-(4-aminophenyl)-cyclobutane-carboxylic acid methyl ester,
1-(4-aminophenyl)-cyclobutanecarboxylic acid methyl ester,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.257g/mol |
| Monoisotopic Mass | 205.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number