1,3-Adamantanediol - CAS 5001-18-3
Catalog: |
BB026890 |
Product Name: |
1,3-Adamantanediol |
CAS: |
5001-18-3 |
Synonyms: |
Tricyclo[3.3.1.13,7]decane-1,3-diol; 1,3-Adamantandiol; 1,3-Dihydroxyadamantane |
IUPAC Name: | adamantane-1,3-diol |
Description: | 3-Methoxycarbonylphthalide is an organic chemical of utmost significance within the pharmaceutical field. It showcases profound antiviral attributes, showing unparalleled efficacy in studying a multitude of viral afflictions such as influenza and herpes. Demonstrating its prowess in hindering viral replication, it solidifies itself as an auspicious candidate for expedited advancements in antiviral therapeutics. |
Molecular Weight: | 168.23 |
Molecular Formula: | C10H16O2 |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)O)O |
InChI: | InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2 |
InChI Key: | MOLCWHCSXCKHAP-UHFFFAOYSA-N |
Boiling Point: | 320.4±10.0°C at 760 mmHg |
Melting Point: | 324-326°C |
Purity: | ≥95% |
Density: | 1.368±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to almost white powder to crystal |
Storage: | Store at -20°C |
MDL: | MFCD00154013 |
LogP: | 1.06240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372190-A | Method for preparing 1, 3-adamantanediol from 3-amino-1-adamantanol | 20210608 |
CN-112962165-A | Spandex fiber with reversible three-shape memory effect and preparation method and application thereof | 20210121 |
CN-112661610-A | Preparation method of 1, 3-dihydroxy adamantane | 20201228 |
CN-112661741-A | Photoresist resin monomer containing Meldrum's acid structure and synthetic method thereof | 20201223 |
CN-112663168-A | Spandex fiber with reversible shape memory effect and preparation method and application thereof | 20201222 |
PMID | Publication Date | Title | Journal |
22639090 | 20120901 | Regioselective synthesis of 1,3,5-adamantanetriol from 1,3-adamantanediol using Kitasatospora cells | Biotechnology letters |
20471592 | 20100601 | Bioconversion of 1-adamantanol to 1,3-adamantanediol using Streptomyces sp. SA8 oxidation system | Journal of bioscience and bioengineering |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.115029749 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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