Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Base Information

• Chemical Name: Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
• CAS No.: 153222-89-0
• Molecular Formula: C22H39NO9
• Molecular Weight: 461.5464
• DSSTox Substance ID: DTXSID40165288
• Mol file: 153222-89-0.mol

Synonyms:153222-89-0;Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt);DTXSID40165288;LS-43650

Chemical Property of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 3.59E-06mmHg at 25°C
• Boiling Point: 346.4°Cat760mmHg
• Flash Point: 163.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 461.26248182
• Heavy Atom Count: 32
• Complexity: 541

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1CC2C(C2(C)C)CC1(C)O.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@@]1(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O