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CAS No.: | 5284-79-7 |
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Name: | 2,6-BIS(4-AZIDOBENZYLIDENE)-4-METHYLCYCLOHEXANONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C21H18N6O |
Molecular Weight: | 370.414 |
Synonyms: | Cyclohexanone,2,6-bis(p-azidobenzylidene)-4-methyl- (6CI,7CI,8CI);1,3-Bis(p-azidobenzylidene)-5-methylcyclohexan-2-one;2,6-Bis(4-azidobenzal)-4-methylcyclohexanone;2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone;2,6-Bis(4'-azidobenzal)-4-methylcyclohexanone;2,6-Bis(4'-azidobenzylidene)-4-methylcyclohexanone;2,6-Bis(p-azidobenzal)-4-methylcyclohexanone;2,6-Bis(p-azidobenzylidene)-4-methylcyclohexanone;2,6-Di(4-azidobenzylidene)-4-methylcyclohexanone;4-Methyl-2,6-bis(4'-azidobenzylidene)cyclohexan-1-one;A 016;BAC-M (lightabsorber); |
EINECS: | 226-117-9 |
Melting Point: | 124-126 °C |
Hazard Symbols: | F |
Risk Codes: | 11 |
Safety: | 16-33 |
Transport Information: | UN 1325 |
PSA: | 116.57000 |
LogP: | 5.94172 |
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This chemical is called Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]-4-methyl-, and its systematic name is 2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone. With the molecular formula of C21H18N6O, its molecular weight is 370.41. The CAS registry number of the chemical is 5284-79-7. Additionally, its product categories are AzidesChemical Ligation; Click Chemistry; Nitrogen Compounds; Organic Azides; Organic Building Blocks. However, this chemical should be sealed in the cool and dry place, away from light.
Other characteristics of Cyclohexanone,2,6-bis[(4-azidophenyl)methylene]-4-methyl- can be summarised as followings: (1)ACD/LogP: 7.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.25; (4)ACD/LogD (pH 7.4): 7.25; (5)ACD/BCF (pH 5.5): 190130.5; (6)ACD/BCF (pH 7.4): 190130.5; (7)ACD/KOC (pH 5.5): 209084.14; (8)ACD/KOC (pH 7.4): 209084.14; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.79 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep away from sources of ignition. Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
1.SMILES: [N-]=[N+]=N\c1ccc(cc1)C=C3C(=O)C(=Cc2ccc(\N=[N+]=[N-])cc2)CC(C)C3
2.InChI: InChI=1/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3
3.InChIKey: MLIWQXBKMZNZNF-UHFFFAOYAT
4.Std. InChI: InChI=1S/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3
5.Std. InChIKey: MLIWQXBKMZNZNF-UHFFFAOYSA-N