[(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]azanium

Base Information

• Chemical Name: [(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]azanium
• CAS No.: 81013-00-5
• Molecular Formula: C9H19 N3 O2 . H2 O
• Molecular Weight: 219.28
• Hs Code.: 29241900
• DSSTox Substance ID: DTXSID10427481
• Wikidata: Q82240132
• Mol file: 81013-00-5.mol

Synonyms:[(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]azanium;81013-00-5;ZINC02584606;DTXSID10427481

Chemical Property of [(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]azanium

Chemical Property:

• Vapor Pressure: 1.72E-09mmHg at 25°C
• Melting Point: 174-176 °C
• Boiling Point: 483.2ºC at 760 mmHg
• Flash Point: 246ºC
• PSA: 93.45000
• LogP: 0.78390
• Storage Temp.: 0-6°C
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 202.15555189
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CCCC[NH3+])C(=O)NC
• Isomeric SMILES: CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC