| CAS Number | 4417-88-3 |
| Catalog Number | AG01BE7A(AGN-PC-0JMIQI) |
| Chemical Name | 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide |
| IUPAC Name | 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide |
| InChI | InChI=1S/C8H17NO4/c1-8(2,5-11)6(12)7(13)9-3-4-10/h6,10-12H,3-5H2,1-2H3,(H,9,13) |
| InChI Key | HTIYIYUVBMDKNV-UHFFFAOYSA-N |
| MDL Number | MFCD24552284 |
| Molecular Formula | C8H17NO4 |
| Molecular Weight | 191.2249 |
| NSC Number | 407324 |
| SMILES | CC(C(C(NCCO)=O)O)(CO)C |
| Synonyms | 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide,
4417-88-3,
NSC407324,
AC1L88YJ,
SCHEMBL6676445,
CTK1D8806,
DTXSID40324631,
AKOS026359490,
MCULE-3104296788,
NE52759,
NSC-407324,
Z1861992404,
Butanamide, 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethyl-,
CID348167,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.227g/mol |
| Monoisotopic Mass | 191.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number