CAS 20098-14-0|5-Hydroxyadamantan-2-one|kemantan|5-hydroxyadamantan-2-one|Idramantone|Kemantane|5-hydroxyadamantan-2-one

General Information

Structure

Molecular Formula

C₁₀H₁₄O₂

Molecular Mass

166.21696

Exact Mass

166.09937969

Charge

InChI

InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2

InChIKey

TZBDEVBNMSLVKT-UHFFFAOYSA-N

Canonic Smiles

O=C1C2CC3CC1CC(C2)(C3)O

Isomeric Smiles

C1(=O)C2CC3(CC1CC(C2)C3)O

Calculated Properties

JChem

Acid pKa

14.722116

H Acceptors

H Donor

LogD (pH = 5.5)

0.905546

LogD (pH = 7.4)

0.90554595

Log P

0.905546

Molar Refractivity

44.5713

Polarizability

17.664183

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-hydroxyadamantan-2-one

Synonyms

5-Hydroxyadamantan-2-oneIdramantoneKemantane

IUPAC Traditional name

kemantan 5-hydroxyadamantan-2-one

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers

Properties

Product Information

Purity

97%

95%

Application(s)

Lymphocyte and antibody stimulant in mice

Safety Information

Storage Warning

IRRITANT

Irritant

MSDS Link

Download link

false

Pharmacology Properties

T-cell suppressor

Physical Property

300 - 302°C

-0.072

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

From Data Sources

• Geluk, H.W., Synthesis, 1972, 374, (synth)

• Srivastava, S. et al., Synth. Commun., 1984, 14, 65, (synth, bibl)

• Vodicka, L. et al., Coll. Czech. Chem. Comm., 1975, 40, 293, (pmr)

• Czech. Pat., 1976, 163 671; CA, 86, 55081h, (synth)

• Morat, C. et al., Tet. Lett., 1979, 4409, (synth, Ac, ir, pmr, cmr)

• Le Noble, W.J. et al., J.O.C., 1983, 48, 1099, (synth)

• Bolte, G. et al., Chem. Ber., 1984, 117, 1982, (synth, pmr, ir, ms)

• Geluk, H.W. et al., Tetrahedron, 1968, 24, 5369, (synth, ir, pmr)

• Lantvoev, V.I., Zh. Org. Khim., 1976, 12, 236; J. Org. Chem. USSR (Engl. Transl.), 1976, 12, 2292, (synth, ir)

• Boiko, S.S. et al., CA, 1991, 115, 84695, (glc)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

5-hydroxyadamantan-2-one

Synonyms

5-Hydroxyadamantan-2-oneIdramantoneKemantane

IUPAC Traditional name

kemantan 5-hydroxyadamantan-2-one

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

References

PubChem Literature

From Data Sources

• Geluk, H.W., Synthesis, 1972, 374, (synth)

• Srivastava, S. et al., Synth. Commun., 1984, 14, 65, (synth, bibl)

• Vodicka, L. et al., Coll. Czech. Chem. Comm., 1975, 40, 293, (pmr)

• Czech. Pat., 1976, 163 671; CA, 86, 55081h, (synth)

• Morat, C. et al., Tet. Lett., 1979, 4409, (synth, Ac, ir, pmr, cmr)

• Le Noble, W.J. et al., J.O.C., 1983, 48, 1099, (synth)

• Bolte, G. et al., Chem. Ber., 1984, 117, 1982, (synth, pmr, ir, ms)

• Geluk, H.W. et al., Tetrahedron, 1968, 24, 5369, (synth, ir, pmr)

• Lantvoev, V.I., Zh. Org. Khim., 1976, 12, 236; J. Org. Chem. USSR (Engl. Transl.), 1976, 12, 2292, (synth, ir)

• Boiko, S.S. et al., CA, 1991, 115, 84695, (glc)

Bioactivity

PubChem BioAssay

Properties

Product Information

Purity

97%

95%

Application(s)

Lymphocyte and antibody stimulant in mice

Safety Information

Storage Warning

IRRITANT

Irritant

MSDS Link

Download link

false

Pharmacology Properties

T-cell suppressor

Physical Property

300 - 302°C

-0.072

Molecule

ID:24952