| CAS Number | 1217828-88-0 |
| Catalog Number | AG009G77(AGN-PC-0WBO7Y) |
| Chemical Name | (S)-Alpha-propynyl-proline-hcl |
| IUPAC Name | (2S)-2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H11NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h1,9H,3-6H2,(H,10,11);1H/t8-;/m1./s1 |
| InChI Key | HUPSJXIFWSWGFS-DDWIOCJRSA-N |
| MDL Number | MFCD06659383 |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 189.6394 |
| SMILES | O=C([C@]1(CC#C)NCCC1)O.[H]Cl |
| Synonyms | 1217828-88-0,
(S)-alpha-propynyl-proline-HCl,
(S)-2-(Prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride,
KS-00000TAL,
4433AH,
MFCD06659383,
(2S)-2-propargylproline;hydrochloride,
AKOS026670306,
DS-9876,
(S)-alpha-Propynyl-proline hydrochloride,
AK188237,
(2S)-2-prop-2-ynyl-2-pyrrolidinecarboxylic acid;hydrochloride,
(2S)-2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride,
C8H11NO2.HCl,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.639g/mol |
| Monoisotopic Mass | 189.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number