| CAS Number | 2059912-44-4 |
| Catalog Number | AG01BVSE |
| Chemical Name | [(3S,4R)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol hydrochloride |
| IUPAC Name | [(3R,4S)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-7(5-10)3-9-4-8(7,2)6-11;/h9-11H,3-6H2,1-2H3;1H/t7-,8+; |
| InChI Key | CCWCMNYYCUOJPV-KVZVIFLMSA-N |
| MDL Number | MFCD30497650 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | Cl.C[C@]1([C@@](CO)(C)CNC1)CO |
| Synonyms | 2059912-44-4,
AKOS034816573,
Z2689031566,
[(3S,4R)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol hydrochloride,
[(3S,4R)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol hydrochloride, cis,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number