| CAS Number | 1824514-94-4 |
| Catalog Number | AG01B299 |
| Chemical Name | tert-butyl N-(1,3-dihydroxybutan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(1,3-dihydroxybutan-2-yl)carbamate |
| InChI | InChI=1S/C9H19NO4/c1-6(12)7(5-11)10-8(13)14-9(2,3)4/h6-7,11-12H,5H2,1-4H3,(H,10,13) |
| InChI Key | ZRYCVLSBSJEPCJ-UHFFFAOYSA-N |
| MDL Number | MFCD24521177 |
| Molecular Formula | C9H19NO4 |
| Molecular Weight | 205.2515 |
| SMILES | CC(C(NC(OC(C)(C)C)=O)CO)O |
| Synonyms | tert-butyl N-(1,3-dihydroxybutan-2-yl)carbamate,
1824514-94-4,
SCHEMBL15502138,
A845984,
tert-butyl N-[1,3-bis(oxidanyl)butan-2-yl]carbamate,
N-(1,3-dihydroxybutan-2-yl)carbamic acid tert-butyl ester,
tert-butyl N-[2-hydroxy-1-(hydroxymethyl)propyl]carbamate,
tert-Butyl ((2R,3R)-1,3-dihydroxybutan-2-yl)carbamate,
99216-67-8,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.254g/mol |
| Monoisotopic Mass | 205.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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