Tetrahydroalstonate d'aminoethanol [French]

Base Information

• Chemical Name: Tetrahydroalstonate d'aminoethanol [French]
• CAS No.: 77754-96-2
• Molecular Formula: C22H29N3O4
• Molecular Weight: 399.48336
• DSSTox Substance ID: DTXSID90228372
• Mol file: 77754-96-2.mol

Synonyms:Tetrahydroalstonate d'aminoethanol;Tetrahydroalstonate d'aminoethanol [French];77754-96-2;DTXSID90228372;C20H22N2O3.C2H7NO;LS-99752;C20-H22-N2-O3.C2-H7-N-O

Chemical Property of Tetrahydroalstonate d'aminoethanol [French]

Chemical Property:

• Vapor Pressure: 4.74E-13mmHg at 25°C
• Boiling Point: 552.7°C at 760 mmHg
• Flash Point: 288.1°C
• PSA: 111.81000
• LogP: 2.66600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 399.21580641
• Heavy Atom Count: 29
• Complexity: 602

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)O)NC5=CC=CC=C45.C(CO)N
• Isomeric SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C(CO)N