Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester

Base Information

• Chemical Name: Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester
• CAS No.: 101976-60-7
• Molecular Formula: C13H27 N4 O3 P
• Molecular Weight: 318.3522
• DSSTox Substance ID: DTXSID70144485
• Nikkaji Number: J85.621E
• Wikidata: Q83008721

Synonyms:WP167;Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester;Dipropyl ((5-amino-3-pentyl)-1H-1,2,4-triazol-1-yl)phosphonate;((5-Amino-3-pentyl)-1H-1,2,4-triazol-1-yl)phosphonic acid, dipropyl ester;101976-60-7;C13H27N4O3P;DTXSID70144485;C13-H27-N4-O3-P;WP-167;LS-106435

Chemical Property of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester

Chemical Property:

• Vapor Pressure: 2.53E-08mmHg at 25°C
• Boiling Point: 450.9°Cat760mmHg
• Flash Point: 226.5°C
• Density: 1.23g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 318.18207773
• Heavy Atom Count: 21
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=NN(C(=N1)N)P(=O)(OCCC)OCCC

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