| CAS Number | 92008-59-8 |
| Catalog Number | AG01A8H7(AGN-PC-05BX4H) |
| Chemical Name | 2-amino-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one |
| IUPAC Name | 2-amino-3-phenyl-1-pyrrolidin-1-ylpropan-1-one |
| InChI | InChI=1S/C13H18N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h1-3,6-7,12H,4-5,8-10,14H2 |
| InChI Key | XJPALNDNNCWDJU-UHFFFAOYSA-N |
| MDL Number | MFCD01474848 |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.2948 |
| SMILES | NC(C(N1CCCC1)=O)CC1=CC=CC=C1 |
| Synonyms | 2-amino-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one,
CHEMBL93931,
92008-59-8,
(S)-2-amino-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one,
AC1MIC6Y,
AC1Q509I,
SCHEMBL1040335,
BDBM50118939,
AKOS000171590,
AKOS016049949,
MCULE-2792256444,
1-Pyrrolizino-2-amino-3-phenyl-1-propanone,
EN300-61595,
2-amino-3-phenyl-1-pyrrolidin-1-ylpropan-1-one,
2-Amino-3-phenyl-1-pyrrolidin-1-yl-propan-1-one,
FC 191,
CID3021908,
1-[(2S)-2-AMINO-1-OXO-3-PHENYLPROPYL]PYRROLIDINE,
56414-89-2,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.3g/mol |
| Monoisotopic Mass | 218.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number