3-Hydroxybutorphanol

Base Information

• Chemical Name: 3-Hydroxybutorphanol
• CAS No.: 75195-49-2
• Molecular Formula: C21H29 N O3
• Molecular Weight: 343.46
• UNII: 0Q4008NELO
• Wikidata: Q27237088
• Mol file: 75195-49-2.mol

Synonyms:3-hydroxybutorphanol;3-hydroxybutorphanol, (cis)-isomer

Chemical Property of 3-Hydroxybutorphanol

Chemical Property:

• Vapor Pressure: 6.06E-13mmHg at 25°C
• Boiling Point: 550.3°C at 760 mmHg
• Flash Point: 301.8°C
• PSA: 63.93000
• Density: 1.31g/cm³
• LogP: 2.27430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 343.21474379
• Heavy Atom Count: 25
• Complexity: 521

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C3CC4=C(C2(C1)CCN3CC5CC(C5)O)C=C(C=C4)O)O
• Isomeric SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CC(C5)O)C=C(C=C4)O)O