| CAS Number | 1250140-25-0 |
| Catalog Number | AG01AGOF |
| Chemical Name | [1-(2-Aminobenzoyl)pyrrolidin-2-yl]methanol |
| IUPAC Name | (2-aminophenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone |
| InChI | InChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(16)14-7-3-4-9(14)8-15/h1-2,5-6,9,15H,3-4,7-8,13H2 |
| InChI Key | JGEZIINZSPXCBX-UHFFFAOYSA-N |
| MDL Number | MFCD14695321 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | NC1=C(C(N2C(CO)CCC2)=O)C=CC=C1 |
| Synonyms | [1-(2-aminobenzoyl)pyrrolidin-2-yl]methanol,
1250140-25-0,
{1-[(2-aminophenyl)carbonyl]pyrrolidin-2-yl}methanol,
AC1Q50U5,
AKOS010667657,
MCULE-4173515283,
NE45222,
EN300-72413,
Z1266823272,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number