Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Base Information

• Chemical Name: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
• CAS No.: 139894-39-6
• Molecular Formula: C41H50N2O10
• Molecular Weight: 730.8431
• DSSTox Substance ID: DTXSID30930649
• Mol file: 139894-39-6.mol

Synonyms:139894-39-6;Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1);C21-H32-N2-O2.C20-H18-O8;DTXSID30930649;LS-49869;2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen octan-3-ylcarbonimidate (1/1)

Chemical Property of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,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°C at 760 mmHg
• Flash Point: 223.2°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 730.34654580
• Heavy Atom Count: 53
• Complexity: 988

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC)NC(=O)OC1=CC2=C(CC3C2(CCN3)C)C=C1.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: CCCCCC(CC)NC(=O)OC1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1.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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