| CAS Number | 77697-86-0 |
| Catalog Number | AG0058LR(AGN-PC-02V9J5) |
| Chemical Name | 2-(Methylamino)propane-1,3-diol |
| IUPAC Name | 2-(methylamino)propane-1,3-diol |
| InChI | InChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3 |
| InChI Key | YMFOWIJFFPALOW-UHFFFAOYSA-N |
| MDL Number | MFCD19217497 |
| Molecular Formula | C4H11NO2 |
| Molecular Weight | 105.1356 |
| SMILES | OCC(CO)NC |
| Synonyms | 1,3-Propanediol, 2-(methylamino)-,
77697-86-0,
2-(Methylamino)propane-1,3-diol,
SCHEMBL761643,
CTK2G6161,
DTXSID10608556,
2-hydroxymethyl-2-methylaminoethanol,
ZINC78730394,
AKOS006348131,
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| Complexity | 36.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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
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Certificate of Analysis
Lot Number