| CAS Number | 30200-04-5 |
| Catalog Number | AG007JA2(AGN-PC-0WB3VA) |
| Chemical Name | 4-Benzylpyrrolidin-2-one |
| IUPAC Name | 4-benzylpyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO/c13-11-7-10(8-12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
| InChI Key | OKESWHAZOJRHIT-UHFFFAOYSA-N |
| MDL Number | MFCD09864502 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | N1CC(CC1=O)CC1C=CC=CC=1 |
| Synonyms | 4-benzylpyrrolidin-2-one,
30200-04-5,
4-BENZYL-2-PYRROLIDINONE,
SCHEMBL1269308,
CTK4G4651,
DTXSID20596238,
OKESWHAZOJRHIT-UHFFFAOYSA-N,
ALBB-013335,
2-pyrrolidinone, 4-(phenylmethyl)-,
9516AD,
MFCD09864502,
AKOS005174138,
MCULE-7648753229,
AB0157788,
DB-068245,
FT-0683697,
Y-5838,
I11-765,
Z2692093982,
C11H13NO,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number