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Bicyclo(3.1.0)hexane-2-methanol, 4-(2-(diethylamino)ethoxy)-alpha,alpha,5-trimethyl-, (1S-(1-alpha,2-alpha,4-alpha,5-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Base Information
  • Chemical Name:Bicyclo(3.1.0)hexane-2-methanol, 4-(2-(diethylamino)ethoxy)-alpha,alpha,5-trimethyl-, (1S-(1-alpha,2-alpha,4-alpha,5-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
  • CAS No.:153222-90-3
  • Molecular Formula:C22H39NO9
  • Molecular Weight:461.5464
  • Hs Code.:
  • DSSTox Substance ID:DTXSID00165289
  • Mol file:153222-90-3.mol
Bicyclo(3.1.0)hexane-2-methanol, 4-(2-(diethylamino)ethoxy)-alpha,alpha,5-trimethyl-, (1S-(1-alpha,2-alpha,4-alpha,5-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Synonyms:153222-90-3;Bicyclo(3.1.0)hexane-2-methanol, 4-(2-(diethylamino)ethoxy)-alpha,alpha,5-trimethyl-, (1S-(1-alpha,2-alpha,4-alpha,5-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt);DTXSID00165289;LS-43726

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Chemical Property of Bicyclo(3.1.0)hexane-2-methanol, 4-(2-(diethylamino)ethoxy)-alpha,alpha,5-trimethyl-, (1S-(1-alpha,2-alpha,4-alpha,5-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
Chemical Property:
  • Vapor Pressure:3.21E-06mmHg at 25°C 
  • Boiling Point:347.8°Cat760mmHg 
  • Flash Point:164.2°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:12
  • Exact Mass:461.26248182
  • Heavy Atom Count:32
  • Complexity:541
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCN(CC)CCOC1CC(C2C1(C2)C)C(C)(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
  • Isomeric SMILES:CCN(CC)CCO[C@H]1C[C@H]([C@H]2[C@@]1(C2)C)C(C)(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
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