Anatoxin a(s)

Base Information

• Chemical Name: Anatoxin a(s)
• CAS No.: 103170-78-1
• Molecular Formula: C₇H₁₇N₄O₄P
• Molecular Weight: 252.21
• UNII: 4258P76E76
• DSSTox Substance ID: DTXSID20897217
• Wikipedia: Guanitoxin
• Wikidata: Q27258486
• Mol file: 103170-78-1.mol

Synonyms:anatoxin-a(s)

Chemical Property of Anatoxin a(s)

Chemical Property:

• Vapor Pressure: 3.24E-06mmHg at 25°C
• Boiling Point: 361.7°Cat760mmHg
• Flash Point: 172.6°C
• PSA: 107.93000
• Density: 1.52g/cm³
• LogP: -0.19860
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 252.09874203
• Heavy Atom Count: 16
• Complexity: 322

Purity/Quality:

99.90% ^*data from raw suppliers

ANATOXIN-A(S) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: other linear non-peptide
• Canonical SMILES: CN(C)CC1CN=C(N1OP(=O)(O)OC)N
• Isomeric SMILES: CN(C)C[C@H]1CN=C(N1OP(=O)(O)OC)N