Calystegine B1

Base Information

• Chemical Name: Calystegine B1
• CAS No.: 127414-86-2
• Molecular Formula: C7H13NO4
• Molecular Weight: 175.18
• DSSTox Substance ID: DTXSID20925887
• Nikkaji Number: J890.606H
• Wikidata: Q82900310
• Mol file: 127414-86-2.mol

Synonyms:calystegine B(1);calystegine B1

Chemical Property of Calystegine B1

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 379.808°C at 760 mmHg
• Flash Point: 207.061°C
• PSA: 92.95000
• Density: 1.723g/cm³
• LogP: -2.14790
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 175.08445790
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

Calystegine B1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CC(N2)(C(C1O)O)O)O
• Isomeric SMILES: C1[C@H]2[C@@H](C[C@](N2)([C@H]([C@@H]1O)O)O)O