N-Methylnalorphine

Base Information

• Chemical Name: N-Methylnalorphine
• CAS No.: 4121-75-9
• Molecular Formula: C20H24NO3+
• Molecular Weight: 326.4089
• DSSTox Substance ID: DTXSID80961504
• ChEMBL ID: CHEMBL1198671
• Mol file: 4121-75-9.mol

Synonyms:N-methylnalorphine

Chemical Property of N-Methylnalorphine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 49.69000
• Density: g/cm³
• LogP: 1.85770
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 326.17561863
• Heavy Atom Count: 24
• Complexity: 591

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)CC=C
• Isomeric SMILES: C[N+]1(CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C

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