6-(3-Phenylpropyl)oximino naltrexone

Base Information

• Chemical Name: 6-(3-Phenylpropyl)oximino naltrexone
• CAS No.: 127227-11-6
• Molecular Formula: C29H34 N2 O4
• Molecular Weight: 474.59126
• Mol file: 127227-11-6.mol

Synonyms:6-(3-phenylpropyl)oximino naltrexone;NPC 836;NPC-836

Chemical Property of 6-(3-Phenylpropyl)oximino naltrexone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 663.9°Cat760mmHg
• Flash Point: 355.3°C
• PSA: 74.52000
• Density: 1.42g/cm³
• LogP: 3.89960
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 474.25185757
• Heavy Atom Count: 35
• Complexity: 826

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CN2CCC34C5C(=NOCCCC6=CC=CC=C6)CCC3(C2CC7=C4C(=C(C=C7)O)O5)O
• Isomeric SMILES: C1CC1CN2CC[C@]34[C@@H]5/C(=N/OCCCC6=CC=CC=C6)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O