Cyclohexanemethanol - CAS 100-49-2
Catalog: |
BB000237 |
Product Name: |
Cyclohexanemethanol |
CAS: |
100-49-2 |
Synonyms: |
cyclohexylmethanol |
IUPAC Name: | cyclohexylmethanol |
Description: | Cyclohexanemethanol (CAS# 100-49-2) is a chemicl reagent used in the synthesis of potent inhibitors of cyclin-dependent kinases 1 & 2. |
Molecular Weight: | 114.19 |
Molecular Formula: | C7H14O |
Canonical SMILES: | C1CCC(CC1)CO |
InChI: | InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2 |
InChI Key: | VSSAZBXXNIABDN-UHFFFAOYSA-N |
Boiling Point: | 181 °C |
Melting Point: | -43 °C |
Purity: | 95 % |
Density: | 0.914 g/cm3 |
Appearance: | Clear to yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001510 |
LogP: | 1.55900 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336713-A | Preparation method of alkoxy pyrazine derivative and alkoxy pyrazine derivative | 20210601 |
CN-113292433-A | Synthesis method of trans-1, 2-cyclohexane dicarboxylic acid monomethyl ester | 20210525 |
CN-113145176-A | Cobalt-manganese-based catalyst for hydroformylation of cyclohexene and preparation and application thereof | 20210507 |
CN-113087673-A | Preparation method of alkyl/alkenyl substituted nitrogen-containing heterocyclic compound | 20210407 |
CN-113087684-A | Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate | 20210323 |
PMID | Publication Date | Title | Journal |
22847764 | 20120820 | Acceptorless photocatalytic dehydrogenation for alcohol decarbonylation and imine synthesis | Angewandte Chemie (International ed. in English) |
22466726 | 20120101 | Synthesis and structure of the β-carboline derivatives and their binding intensity with cyclin-dependent kinase 2 | Chemical & pharmaceutical bulletin |
21183355 | 20110101 | Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors | Bioorganic & medicinal chemistry |
20627591 | 20100701 | Design and synthesis of novel hydroxyalkylaminomethylchromones for their IL-5 inhibitory activity | Bioorganic & medicinal chemistry |
20226573 | 20100601 | Synthesis and evaluation of novel chromone analogs for their inhibitory activity against interleukin-5 | European journal of medicinal chemistry |
Complexity: | 55.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.104465066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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