| CAS Number | 953891-80-0 |
| Catalog Number | AG00J23D(AGN-PC-0WB5EE) |
| Chemical Name | 1-[2-(aminomethyl)benzyl]-2-pyrrolidinone |
| IUPAC Name | 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-one |
| InChI | InChI=1S/C12H16N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h1-2,4-5H,3,6-9,13H2 |
| InChI Key | HYRYBZYQMWTMRE-UHFFFAOYSA-N |
| MDL Number | MFCD09734951 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | N1(CCCC1=O)CC1C=CC=CC=1CN |
| Synonyms | 953891-80-0,
1-[2-(AMINOMETHYL)BENZYL]-2-PYRROLIDINONE,
1-[2-(AMINOMETHYL)BENZYL]PYRROLIDIN-2-ONE,
1-(2-(Aminomethyl)benzyl)pyrrolidin-2-one,
1-{[2-(Aminomethyl)phenyl]methyl}pyrrolidin-2-one,
CTK7E5977,
DTXSID20588512,
ALBB-027039,
BBL035008,
MFCD09734951,
STL420636,
ZINC20281960,
AKOS000143508,
MCULE-7879200352,
AJ-76857,
1-(2-Aminomethyl-benzyl)-pyrrolidin-2-one,
AB0229331,
Y-5413,
2-pyrrolidinone, 1-[[2-(aminomethyl)phenyl]methyl]-,
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-one,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number