| CAS Number | 1422443-57-9 |
| Catalog Number | AG00IL50 |
| Chemical Name | tert-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate |
| IUPAC Name | tert-butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate |
| InChI | InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1 |
| InChI Key | IUKYKMHCKDLTJC-IUCAKERBSA-N |
| MDL Number | MFCD28502564 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C1 |
| Synonyms | 1422443-57-9,
tert-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate,
tert-Butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate,
SCHEMBL14703805,
IUKYKMHCKDLTJC-IUCAKERBSA-N,
MFCD28502564,
ZINC22015940,
AJ-80650,
AS-47559,
CJ-17274,
CS-0048026,
t-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate,
tert-Butyl (1S,3S)-3-hydroxycyclohexylcarbamate,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number