| CAS Number | 2655-79-0 |
| Catalog Number | AG002TOL(AGN-PC-00GIO3) |
| Chemical Name | N-(1,3-Dihydroxypropan-2-yl)acetamide |
| IUPAC Name | N-(1,3-dihydroxypropan-2-yl)acetamide |
| InChI | InChI=1S/C5H11NO3/c1-4(9)6-5(2-7)3-8/h5,7-8H,2-3H2,1H3,(H,6,9) |
| InChI Key | QPWBBPDULLEDDG-UHFFFAOYSA-N |
| MDL Number | MFCD19217068 |
| Molecular Formula | C5H11NO3 |
| Molecular Weight | 133.1457 |
| SMILES | CC(NC(CO)CO)=O |
| Synonyms | 2655-79-0,
N-(1,3-dihydroxypropan-2-yl)acetamide,
N-(1,3-propanediol-2-yl)acetamide,
N-(2-hydroxy-1-hydroxymethylethyl)acetamide,
Acetamide, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-,
SCHEMBL1861994,
CTK0J3171,
DTXSID30473001,
QPWBBPDULLEDDG-UHFFFAOYSA-N,
ZINC13357255,
AKOS006348517,
N-[1-(Hydroxymethyl)-2-hydroxyethyl]acetamide,
Z1574518441,
CID11804802,
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| Complexity | 90.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.147g/mol |
| Monoisotopic Mass | 133.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number