(-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine

Base Information

• Chemical Name: (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine
• CAS No.: 79989-25-6
• Molecular Formula: C28H31 N O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID801000887
• Mol file: 79989-25-6.mol

Synonyms:(-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine;79989-25-6;5H-Dibenz(d,f)azonin-1-ol, 6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-(phenylmethyl)-, acetate (ester), (-)-;SCHEMBL11170184;C28H31NO4;DTXSID801000887;LS-60560;6-Benzyl-2,12-dimethoxy-7-methyl-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-yl acetate

Chemical Property of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine

Chemical Property:

• Vapor Pressure: 1.13E-13mmHg at 25°C
• Boiling Point: 585°C at 760 mmHg
• Flash Point: 307.6°C
• PSA: 48.00000
• Density: 1.13g/cm³
• LogP: 4.87570
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 445.22530847
• Heavy Atom Count: 33
• Complexity: 621

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-7-METHYL-6-(PHENYLMETHYL)-, ACETATE (ESTER), (-)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=CC2=C1C3=C(CCN(C(C2)CC4=CC=CC=C4)C)C=CC(=C3)OC)OC

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