| CAS Number | 725233-29-4 |
| Catalog Number | AG00IC9Z(AGN-PC-004CDU) |
| Chemical Name | 2-Pyrrolidinone, 4-(3-aminophenyl)- |
| IUPAC Name | 4-(3-aminophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13) |
| InChI Key | ZZPPSRMRIPWGTL-UHFFFAOYSA-N |
| MDL Number | MFCD15144683 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | O=C1NCC(C2=CC=CC(N)=C2)C1 |
| Synonyms | 4-(3-aminophenyl)pyrrolidin-2-one,
725233-29-4,
2-Pyrrolidinone, 4-(3-aminophenyl)-,
4-(3-aminophenyl)-2-Pyrrolidinone,
SCHEMBL16977975,
DTXSID40458662,
MFCD15144683,
AKOS022183425,
MCULE-9036478488,
NE42122,
AS-38300,
DB-074581,
FT-0770008,
CID11206089,
|
| Complexity | 205 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number