| CAS Number | 847490-63-5 |
| Catalog Number | AG01A422(AGN-PC-0WO98N) |
| Chemical Name | (S)-3-(Methylamino)propane-1,2-diol |
| IUPAC Name | (2S)-3-(methylamino)propane-1,2-diol |
| InChI | InChI=1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3/t4-/m0/s1 |
| InChI Key | WOMTYMDHLQTCHY-BYPYZUCNSA-N |
| MDL Number | MFCD12798238 |
| Molecular Formula | C4H11NO2 |
| Molecular Weight | 105.1356 |
| SMILES | CNC[C@@H](CO)O |
| Synonyms | (2S)-3-(methylamino)propane-1,2-diol,
847490-63-5,
(S)-3-(methylamino)propane-1,2-diol,
AC1ODVF1,
1,2-Propanediol, 3-(methylamino)-, (2S)-,
SCHEMBL1868586,
WOMTYMDHLQTCHY-BYPYZUCNSA-N,
ZINC2572186,
AKOS026729068,
NE33261,
AJ-41977,
Z2143644382,
EINECS 254-809-0,
CID7021473,
|
| Complexity | 40.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 105.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 105.137g/mol |
| Monoisotopic Mass | 105.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number