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CAS No.: | 251645-83-7 | ||||||
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Name: | (1S,E)-(-)-Camphorquinone 3-oxime | ||||||
Article Data: | 4 | ||||||
Molecular Structure: | |||||||
Formula: | C10H15NO2 | ||||||
Molecular Weight: | 181.235 | ||||||
Synonyms: | (1S,E)-(-)-CAMPHORQUINONE 3-OXIME; | ||||||
Density: | 1.25g/cm3 | ||||||
Melting Point: | 154-156 ºC | ||||||
Boiling Point: | 276.8°Cat760mmHg | ||||||
Flash Point: | 121.2°C | ||||||
Hazard Symbols: | |||||||
Risk Codes: | R22;R43 | ||||||
Safety: |
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PSA: | 49.66000 | ||||||
LogP: | 1.84180 |
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The (1S,E)-(-)-Camphorquinone 3-oxime with cas registry number of 251645-83-7, has the systematic name of (1S,3E,4R)-3-(hydroxyimino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Physical properties about this chemical are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.75; (6)ACD/BCF (pH 7.4): 3.69; (7)ACD/KOC (pH 5.5): 89.67; (8)ACD/KOC (pH 7.4): 88.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.66 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 48.79 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 19.34×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Enthalpy of Vaporization: 56.71 kJ/mol; (19)Vapour Pressure: 0.00128 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (1S,E)-(-)-Camphorquinone 3-oxime is harmful if swallowed. So avoid to breathe dust. And it may cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C;
(2)InChI: InChI=1/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,13H,4-5H2,1-3H3/b11-7+/t6-,10+/m0/s1;
(3)InChIKey: YRNPDSREMSMKIY-MTPPGBDRBN;
(4)Std. InChI: InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,13H,4-5H2,1-3H3/b11-7+/t6-,10+/m0/s1;
(5)Std. InChIKey: YRNPDSREMSMKIY-MTPPGBDRSA-N