| CAS Number | 245546-83-2 |
| Catalog Number | AG019LOZ(AGN-PC-0WO0IQ) |
| Chemical Name | 1-[(3-aminophenyl)methyl]pyrrolidin-2-one |
| IUPAC Name | 1-[(3-aminophenyl)methyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H14N2O/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8,12H2 |
| InChI Key | PJNZDXATAWLXOB-UHFFFAOYSA-N |
| MDL Number | MFCD09815410 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | NC1=CC(CN2C(=O)CCC2)=CC=C1 |
| Synonyms | 1-(3-aminobenzyl)pyrrolidin-2-one,
245546-83-2,
1-[(3-aminophenyl)methyl]pyrrolidin-2-one,
3-(2-oxo-pyrrolidin-1-yl)methyl-aniline,
AC1Q51NK,
SCHEMBL2720932,
CTK7D8966,
MFCD09815410,
ZINC19281577,
AKOS000156532,
NE60414,
EN300-32021,
1-(3-aminobenzyl)pyrrolidin-2-one, AldrichCPR,
|
| Complexity | 217 |
| 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 | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number