2-Methylcyclohexylmethanol (Mixture of Diastereomers) - CAS 2105-40-0
Catalog: |
BB059880 |
Product Name: |
2-Methylcyclohexylmethanol (Mixture of Diastereomers) |
CAS: |
2105-40-0 |
Synonyms: |
2-Methyl-cyclohexanemethanol; (2-Methylcyclohexyl)methanol; 2-Methylcyclohexanemethanol; Hexahydro-o-methylbenzyl Alcohol; NSC 19178 |
IUPAC Name: | (2-methylcyclohexyl)methanol |
Description: | 2-Methylcyclohexylmethanol is used as a reagent in the synthesis of N-substituted benzamides which are used for the treatment of pain. |
Molecular Weight: | 128.21 |
Molecular Formula: | C8H16O |
Canonical SMILES: | CC1CCCCC1CO |
InChI: | InChI=1S/C8H16O/c1-7-4-2-3-5-8(7)6-9/h7-9H,2-6H2,1H3 |
InChI Key: | NIDINIHOPRFWFJ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Colourless Oil |
Storage: | 4°C |
References: | Andrez, J., et al. PCT Int. Appl. В WOВ 2013177224В A1В 20131128. Nov 28, 2013. |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.12011513 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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