Basic information
- CAS
112851-89-5- Standard SMILES
Oc1ccc(O)c(C=NC23CC4CC(CC(C4)C2)C3)c1- InChIKey
KSFHABYHDIUGKU-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- 1-(2,5-Dihydroxybenzylidene)aminoadamantane
- IUPAC
- 2-(1-adamantyliminomethyl)benzene-1,4-diol
- English name
- oxphaman
- Molecular formula
- C17H21NO2
- Molecular weight
- 271.35
Names & synonyms
Oxphaman112851-89-51-(2,5-Dihydroxybenzylidene)aminoadamantane2-(1-adamantyliminomethyl)benzene-1,4-diol1,4-Benzenediol, 2-((tricyclo(3.3.1.13,7)dec-1-ylimino)methyl)-Zimet 47-79orb17380711-(2,5-dihydroxybenzylidene) amino-adamantanN-(2,5-dihydroxybenzylidene)-1-aminoadamantaneM-516ZIMET-47/791,4-Benzenediol, 2-[(tricyclo[3.3.1.13,7]dec-1-ylimino)methyl]-
Show more names
2-[(Tricyclo[3.3.1.13,7]decan-1-ylimino)methyl]-1,4-benzenediol
Database identifiers
- CAS
112851-89-5- PubChem CID
- 64583
- Nikkaji
- J227.962B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 464.4 · 464.4±35.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 10.14 · 10.14±0.18(Predicted)
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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