| CAS Number | 1033693-04-7 |
| Catalog Number | AG00HA1U(AGN-PC-0WB3XK) |
| Chemical Name | 1-(3-Aminophenyl)-5-methylpyrrolidin-2-one |
| IUPAC Name | 1-(3-aminophenyl)-5-methylpyrrolidin-2-one |
| InChI | InChI=1S/C11H14N2O/c1-8-5-6-11(14)13(8)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,12H2,1H3 |
| InChI Key | HSOSVRQUSPTFGY-UHFFFAOYSA-N |
| MDL Number | MFCD10686558 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | N1(C(C)CCC1=O)C1C=CC=C(N)C=1 |
| Synonyms | 1-(3-aminophenyl)-5-methylpyrrolidin-2-one,
1033693-04-7,
1-(3-aminophenyl)-5-methyl-2-pyrrolidinone,
SCHEMBL1937222,
CTK7D9047,
HSOSVRQUSPTFGY-UHFFFAOYSA-N,
ALBB-005329,
ZX-AN005261,
ZX-CM005929,
FCH881246,
MFCD10686558,
STK503353,
AKOS005171525,
MCULE-7824021741,
TR-058740,
BB 0256441,
Y-6338,
4027147-25G,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number