Propain

Base Information

• Chemical Name: Propain
• CAS No.: 138230-30-5
• Molecular Formula: C51H65ClN7O12P
• Molecular Weight: 0
• Mol file: 138230-30-5.mol

Synonyms:Propain

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Chemical Property of Propain

Chemical Property:

• Vapor Pressure: 2.47E-09mmHg at 25°C
• Boiling Point: 462°Cat760mmHg
• Flash Point: 233.2°C
• PSA: 256.61000
• Density: g/cm³
• LogP: 5.63740
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 1033.4117352
• Heavy Atom Count: 72
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl