1-Methylyohimbine

Base Information

• Chemical Name: 1-Methylyohimbine
• CAS No.: 5057-80-7
• Molecular Formula: C22H28 N2 O3 . H I
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20964791
• Mol file: 5057-80-7.mol

Synonyms:1-methylyohimbine

Chemical Property of 1-Methylyohimbine

Chemical Property:

• Vapor Pressure: 1.05E-12mmHg at 25°C
• Boiling Point: 544.8°Cat760mmHg
• Flash Point: 283.3°C
• PSA: 54.70000
• Density: g/cm³
• LogP: 3.59360
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 496.12229
• Heavy Atom Count: 28
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C3=C1C4CC5C(CCC(C5C(=O)OC)O)CN4CC3.I
• Isomeric SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)OC)O)CN4CC3.I