| CAS Number | 1904-00-3 |
| Catalog Number | AG01AH3E(AGN-PC-00GJJE) |
| Chemical Name | 3-Amino-1-phenylpyrrolidin-2-one |
| IUPAC Name | 3-amino-1-phenylpyrrolidin-2-one |
| InChI | InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2 |
| InChI Key | CLKQZOVQZNETMH-UHFFFAOYSA-N |
| MDL Number | MFCD14689622 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | NC1C(N(CC1)C1=CC=CC=C1)=O |
| Synonyms | 3-amino-1-phenylpyrrolidin-2-one,
1904-00-3,
2-Pyrrolidinone, 3-amino-1-phenyl-,
AC1MIMED,
AC1Q53H1,
SCHEMBL5193387,
AKOS010810834,
MCULE-4367505085,
NE29474,
EN300-73584,
Z1238477797,
3-amino-1-phenyl-pyrrolidin-2-one,
CID3048221,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number