trans-[2-(4-tert-Butyloxycarbonylamino)cyclohexyloxy]tetrahydro-2H-pyran - CAS 1322625-81-9
Catalog: |
BB071823 |
Product Name: |
trans-[2-(4-tert-Butyloxycarbonylamino)cyclohexyloxy]tetrahydro-2H-pyran |
CAS: |
1322625-81-9 |
Synonyms: |
trans-[2-(4-tert-Butyloxycarbonylamino)cyclohexyloxy]tetrahydro-2H-pyran; CIS-[2-(4-TERT-BUTYLOXYCARBONYLAMINO)CYCLOHEXYLOXY]TETRAHYDRO-2H-PYRAN; Tert-butyl N-[4-(oxan-2-yloxy)cyclohexyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(oxan-2-yloxy)cyclohexyl]carbamate |
Description: | Ambroxol intermediate. |
Molecular Weight: | 299.41 |
Molecular Formula: | C16H29NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)OC2CCCCO2 |
InChI: | InChI=1S/C16H29NO4/c1-16(2,3)21-15(18)17-12-7-9-13(10-8-12)20-14-6-4-5-11-19-14/h12-14H,4-11H2,1-3H3,(H,17,18) |
InChI Key: | HZWRRGNCVVZGPJ-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, DMSO, Methanol |
Appearance: | White Solid |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.20965841 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.20965841 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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