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Catalog Number | ACM521675 |
CAS Number | 521-67-5 |
Molecular Weight | 329.4 |
InChI | InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16-,18+/m0/s1 |
InChI Key | MQIXMJWNEKUAOZ-UYCDZTDFSA-N |
Melting Point | 121 °C |
Purity | 95%+ |
Complexity | 498 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 4 |
Exact Mass | 329.16270821 |
Heavy Atom Count | 24 |
Hydrogen Bond Acceptor Count | 5 |
Hydrogen Bond Donor Count | 0 |
Isomeric SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)/C=C/C3=CC=CC=C3)C(=O)OC |
Monoisotopic Mass | 329.16270821 |
PhysicalState | Powder |
Rotatable Bond Count | 6 |
Topological Polar Surface Area | 55.8 Ų |
What is the molecular formula of cinnamoylcocaine?
The molecular formula of cinnamoylcocaine is C26H27NO5.
What is the molecular weight of cinnamoylcocaine?
The molecular weight of cinnamoylcocaine is 433.49628.
What are some synonyms for cinnamoylcocaine?
Some synonyms for cinnamoylcocaine are ecgonine cinnamate methyl ester.
What is the chemical structure of cinnamoylcocaine?
The chemical structure of cinnamoylcocaine is a cinnamate ester of ecgonine.
What is the common use or application of cinnamoylcocaine?
Cinnamoylcocaine is commonly used as a precursor in the synthesis of various derivatives in organic chemistry.
How is cinnamoylcocaine typically synthesized?
Cinnamoylcocaine is typically synthesized by esterification of ecgonine with cinnamic acid.
What are the potential medical or pharmaceutical uses of cinnamoylcocaine?
Cinnamoylcocaine may have potential applications in the development of new pharmaceutical compounds or as a research tool in drug discovery.
Can cinnamoylcocaine be used in food or cosmetic products?
It is unlikely that cinnamoylcocaine would be used in food or cosmetic products due to its chemical properties and potential regulations.
Are there any known side effects or risks associated with cinnamoylcocaine?
Due to its limited research and potential use in laboratory settings, there may be unknown risks or side effects associated with cinnamoylcocaine.
How stable is cinnamoylcocaine under different storage conditions?
The stability of cinnamoylcocaine may vary under different storage conditions, and it is recommended to store it in a cool, dry place away from light and moisture.
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