Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Base Information

• Chemical Name: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
• CAS No.: 139760-93-3
• Molecular Formula: C36H40N2O10
• Molecular Weight: 660.7102
• DSSTox Substance ID: DTXSID10930586
• Mol file: 139760-93-3.mol

Synonyms:139760-93-3;Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1);DTXSID10930586;C16H22N2O2.C20H18O8;C16-H22-N2-O2.C20-H18-O8;2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl)propylcarbamic acid (1/1)

Chemical Property of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.47E-16mmHg at 25°C
• Boiling Point: 626.5°Cat760mmHg
• Flash Point: 223.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 660.26829548
• Heavy Atom Count: 48
• Complexity: 920

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(C1=CC2=C(CC3C2(CCN3)C)C=C1)C(=O)O.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
• Isomeric SMILES: CCCN(C1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1)C(=O)O.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

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