Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

Base Information

• Chemical Name: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)
• CAS No.: 156693-49-1
• Molecular Formula: C41H50N2O10
• Molecular Weight: 730.8431
• DSSTox Substance ID: DTXSID80935503
• Mol file: 156693-49-1.mol

Synonyms:156693-49-1;Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1);DTXSID80935503;LS-49864;2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)hexylcarbamic acid (1/1)

Chemical Property of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

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: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 730.34654580
• Heavy Atom Count: 53
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(C1=CC2=C(C=C1)C3CC2(CCN3CC)C)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: CCCCCCN(C1=CC2=C(C=C1)C3CC2(CCN3CC)C)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