| CAS Number | 6734-79-8 |
| Catalog Number | AG00FDEX(AGN-PC-0OG385) |
| Chemical Name | (2S,4R)-1-Methyl-4-propylpyrrolidine-2-carboxylic acid hydrochloride |
| IUPAC Name | (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H17NO2.ClH/c1-3-4-7-5-8(9(11)12)10(2)6-7;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1 |
| InChI Key | HXLBKTSQKYGOOA-WLYNEOFISA-N |
| MDL Number | MFCD16251459 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | CCC[C@@H]1C[C@H](N(C1)C)C(=O)O.Cl |
| Synonyms | 6734-79-8,
(4R)-1-Methyl-4-propyl-L-proline Hydrochloride,
trans-Propylhygric Acid Hydrochloride,
SCHEMBL11652151,
DTXSID30628392,
4-n-Propyl Hygric Acid Hydrochloride,
FT-0671909,
1-Methyl-4-propyl-L-trans-proline Hydrochloride,
L-trans-1-Methyl-4-propyl-proline Hydrochloride,
(4R)-1-Methyl-4-propyl-L-proline--hydrogen chloride (1/1),
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.698g/mol |
| Monoisotopic Mass | 207.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number