tert-butyl N-[cis-3-(hydroxymethyl)cyclohexyl]carbamate - CAS 920966-16-1
Catalog: |
BB040428 |
Product Name: |
tert-butyl N-[cis-3-(hydroxymethyl)cyclohexyl]carbamate |
CAS: |
920966-16-1 |
Synonyms: |
N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]carbamate |
IUPAC Name: | tert-butyl N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]carbamate |
Description: | tert-butyl N-[cis-3-(hydroxymethyl)cyclohexyl]carbamate (CAS# 920966-16-1 ) is a useful research chemical. |
Molecular Weight: | 229.32 |
Molecular Formula: | C12H23NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCCC(C1)CO |
InChI: | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1 |
InChI Key: | LBJSEPNOVVUVJA-VHSXEESVSA-N |
Appearance: | White solid |
MDL: | MFCD03844608 |
LogP: | 2.45310 |
Publication Number | Title | Priority Date |
US-2020131154-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
WO-2020087024-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
EP-3870177-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
US-11053221-B2 | Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity | 20181026 |
US-10308648-B2 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20141016 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.1677936 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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