| CAS Number | 167216-17-3 |
| Catalog Number | AG00AWK1(AGN-PC-0Q90Q9) |
| Chemical Name | Carbamic acid, [(1R)-3-hydroxy-1-methylpropyl]-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-[(2R)-4-hydroxybutan-2-yl]carbamate |
| InChI | InChI=1S/C9H19NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1 |
| InChI Key | JSZOAOLSEKSNTD-SSDOTTSWSA-N |
| MDL Number | MFCD18831346 |
| Molecular Formula | C9H19NO3 |
| Molecular Weight | 189.2521 |
| SMILES | OCC[C@H](NC(=O)OC(C)(C)C)C |
| Synonyms | (R)-tert-Butyl (4-hydroxybutan-2-yl)carbamate,
167216-17-3,
SCHEMBL2389101,
N-Boc-(R)-3-aminobutan-1-ol,
JSZOAOLSEKSNTD-SSDOTTSWSA-N,
ZINC21993387,
DS-10250,
[(R)-1-Methyl-3-hydroxypropyl]carbamic acid tert-butyl ester,
((R)-3-hydroxy-1-methyl-propyl)-carbamic acid tert-butyl ester,
N-beta-t-Butoxycarbonyl-L-beta-homoalaniol;(S)-3-[(t-Butoxycarbonyl)amino]-1-butanol,
CJ-17163,
Carbamic acid, [(1R)-3-hydroxy-1-methylpropyl]-, 1,1-dimethylethyl ester (9CI),
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.136493g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.25g/mol |
| Monoisotopic Mass | 189.136493g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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