| CAS Number | 69132-82-7 |
| Catalog Number | AG005L4F(AGN-PC-0WB3XJ) |
| Chemical Name | 1-(3-Amino-4-methylphenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(3-amino-4-methylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H14N2O/c1-8-4-5-9(7-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3 |
| InChI Key | JPWYHWFXQQVCID-UHFFFAOYSA-N |
| MDL Number | MFCD09064650 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | N1(CCCC1=O)C1C=CC(=C(N)C=1)C |
| Synonyms | 1-(3-amino-4-methylphenyl)pyrrolidin-2-one,
69132-82-7,
1-(3-AMINO-4-METHYLPHENYL)-2-PYRROLIDINONE,
SCHEMBL6028329,
CTK5C9118,
DTXSID20511042,
MFCD09064650,
STK735175,
ZINC12462347,
AKOS000166704,
MCULE-6294612799,
AJ-62280,
SC-30161,
ST4139227,
Y-5237,
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| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number