2-Methylbenzilic acid 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester is a complex organic compound with the molecular formula C18H25NO2. It is an ester derivative of 2-methylbenzilic acid, where the hydroxyl group is replaced by an ethyl group attached to a 9-azabicyclo[3.3.1]nonan-9-yl moiety. 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester is characterized by its unique molecular structure, which includes a benzene ring with a methyl group at the 2-position and a substituted ethyl ester group. It is likely to have specific applications in the field of organic chemistry, potentially as an intermediate in the synthesis of pharmaceuticals or other specialty chemicals, due to its structural diversity and the presence of both aromatic and cyclic amine functionalities.
6606-06-0
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Basic information
- Product Name: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
- Synonyms: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester;KSD-2391
- CAS NO:6606-06-0
- Molecular Formula: C25H31NO3
- Molecular Weight: 393.51854
- EINECS: N/A
- Product Categories: N/A
- Mol File: 6606-06-0.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 503.1°Cat760mmHg
- Flash Point: 258.1°C
- Appearance: /
- Density: 1.143g/cm3
- Vapor Pressure: 6.08E-11mmHg at 25°C
- Refractive Index: 1.574
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 11.35±0.29(Predicted)
- CAS DataBase Reference: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester(6606-06-0)
- EPA Substance Registry System: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester(6606-06-0)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 6606-06-0(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 6606-06-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,6,0 and 6 respectively; the second part has 2 digits, 0 and 6 respectively.Calculate Digit Verification of CAS Registry Number 6606-06:
(6*6)+(5*6)+(4*0)+(3*6)+(2*0)+(1*6)=90
90 % 10 = 0
So 6606-06-0 is a valid CAS Registry Number.
InChI:InChI=1/C25H31NO3/c1-19-9-5-6-16-23(19)25(28,20-10-3-2-4-11-20)24(27)29-18-17-26-21-12-7-13-22(26)15-8-14-21/h2-6,9-11,16,21-22,28H,7-8,12-15,17-18H2,1H3
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2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
