2094-74-8

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2094-74-8 Structure

Identification	Back Directory
[Name] 1-ADAMANTANE CARBOXALDEHYDE
[CAS] 2094-74-8
[Synonyms] 1-AdaMantane ADAMANTANE-1-ALDEHYDE Adamantane-1-carbaldehyde 1-Adamantylcarboxaldehyde 1-ADAMANTANE CARBOXALDEHYDE Adamantane-1-carboxaldehyde 1-AdaMantanecarboxaldehyde (7CI,8CI) tricyclo[3.3.1.13,7]decane-1-carbaldehyde Tricyclo[3.3.1.13,7]decane-1-carboxaldehyde
[Molecular Formula] C11H16O
[MDL Number] MFCD12031698
[MOL File] 2094-74-8.mol
[Molecular Weight] 164.24

Chemical Properties	Back Directory
[Melting point ] 189-198 °C
[Boiling point ] 239℃
[density ] 1.166
[Fp ] 82℃
[InChI] InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
[InChIKey] DZULQZKFBAHSRX-UHFFFAOYSA-N
[SMILES] C12(C=O)CC3CC(CC(C3)C1)C2

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P261-P280-P305+P351+P338-P304+P340-P405
[HS Code ] 2902190000

Hazard Information	Back Directory
[Uses] 1-Adamantylcarboxaldehyde is an intermediate used to prepare 2-adamantyl-substituted thiazolidin-4-ones with anti-HIV activities. It is also used to synthesize Saxagliptin (S143500).

Spectrum Detail	Back Directory
[Spectrum Detail] 1-ADAMANTANE CARBOXALDEHYDE(2094-74-8)¹HNMR

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