| CAS Number | 228857-49-6 |
| Catalog Number | AG00CGHS(AGN-PC-0QZFYX) |
| Chemical Name | 1-((S)-1-Methylpyrrolidin-2-yl)ethanol |
| IUPAC Name | 1-[(2S)-1-methylpyrrolidin-2-yl]ethanol |
| InChI | InChI=1S/C7H15NO/c1-6(9)7-4-3-5-8(7)2/h6-7,9H,3-5H2,1-2H3/t6?,7-/m0/s1 |
| InChI Key | LGZVZTBBCKQEPT-MLWJPKLSSA-N |
| MDL Number | MFCD18829968 |
| Molecular Formula | C7H15NO |
| Molecular Weight | 129.2001 |
| SMILES | CC(O)[C@H]1N(C)CCC1 |
| Synonyms | 2-Pyrrolidinemethanol,alpha,1-dimethyl-,(2S)-(9CI),
228857-49-6,
SCHEMBL7838230,
AKOS027403205,
FCH1006159,
ACM228857496,
2-Pyrrolidinemethanol,alpha,1-dimethyl-, -,
2-Pyrrolidinemethanol, alpha,1-dimethyl-, (2S)- (9CI),
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.203g/mol |
| Monoisotopic Mass | 129.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number