Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Base Information

• Chemical Name: Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• CAS No.: 153321-66-5
• Molecular Formula: C22H39NO8
• Molecular Weight: 445.547
• DSSTox Substance ID: DTXSID50165310
• Mol file: 153321-66-5.mol

Synonyms:153321-66-5;Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);C16-H31-N-O.C6-H8-O7;DTXSID50165310;LS-64974

Chemical Property of Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Chemical Property:

• Vapor Pressure: 0.000541mmHg at 25°C
• Boiling Point: 312.1°C at 760 mmHg
• Flash Point: 92.1°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 445.26756720
• Heavy Atom Count: 31
• Complexity: 500

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MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCOC1CC2C(C2(C)C)CC1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: CCN(CC)CCO[C@@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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