| CAS Number | 477584-12-6 |
| Catalog Number | AG01AKQB(AGN-PC-0AA049) |
| Chemical Name | Tert-butyl N-[(2-hydroxycyclohexyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(2-hydroxycyclohexyl)methyl]carbamate |
| InChI | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-9-6-4-5-7-10(9)14/h9-10,14H,4-8H2,1-3H3,(H,13,15) |
| InChI Key | MAONMXZZIKVZBB-UHFFFAOYSA-N |
| MDL Number | MFCD20233548 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(OC(NCC1C(O)CCCC1)=O)(C)C |
| Synonyms | tert-butyl N-[(2-hydroxycyclohexyl)methyl]carbamate,
477584-12-6,
SCHEMBL15541569,
MAONMXZZIKVZBB-UHFFFAOYSA-N,
AKOS014258979,
MCULE-6308176310,
NE18673,
EN300-84884,
Z1497105977,
(2-Hydroxy-cyclohexylmethyl)-carbamic acid tert-butyl ester,
tert-butyl (((1S,2R)-2-hydroxycyclohexyl)methyl)carbamate,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number