Introduction：Basic information about CAS 700-58-3|adamantanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Adamantanone (2-Adamantone) is a bioactive chemical, and can be used for the synthesis of active compound[1].
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Research Areas >>OthersSignaling Pathways >>Others >>Others
Chemical & Physical Properties
Density
1.1±0.1 g/cm3
Boiling Point
246.7±8.0 °C at 760 mmHg
Melting Point
256-258 °C (subl.)(lit.)
Molecular Formula
C10H14O
Molecular Weight
150.218
Flash Point
95.7±10.7 °C
Exact Mass
150.104462
PSA
17.07000
LogP
1.60
Vapour Pressure
0.0±0.5 mmHg at 25°C
Index of Refraction
1.535
InChIKey
IYKFYARMMIESOX-UHFFFAOYSA-N
SMILES
O=C1C2CC3CC(C2)CC1C3
Water Solubility
methanol: 0.1 g/mL, clear
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
AU5018000
CHEMICAL NAME :
2-Adamantanone
CAS REGISTRY NUMBER :
700-58-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
L66 B6/B-H/DI A B- C 1B I AVTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,454,1976
Safety Information
Personal Protective Equipment
Eyeshields;Gloves
Hazard Codes
Xi: Irritant;
Risk Phrases
R52
Safety Phrases
S22-S24/25
RIDADR
NONH for all modes of transport
WGK Germany
2
RTECS
AU5018000
HS Code
29142900
Customs
HS Code
2914299000
Summary
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Articles16
More Articles
Effect of adamantanone derivative possessing anti-HIV properties on the redox processes in the cytochrome P-450 system.
Dokl. Biochem. Biophys. 378 , 210-3, (2001)
Conformational relaxation in hemoproteins: the cytochrome P-450cam case.
Biochemistry 39(46) , 14219-31, (2000)
Photodissociation of (CO)P-450(cam)(substrate) complexes was found to trigger a conformational relaxation process that interferes with ligand rebinding at temperatures as low as 140 K even though the ...
The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.
Biochemistry 28(2) , 917-22, (1989)
The crystal structures of cytochrome P-450CAM complexed with the alternative substrates norcamphor and adamantanone have been refined at 2.0-A resolution and compared with the native, camphor-bound fo...
