Home Page Flashcards Thiamine mononitrate C12H17N5O4S structure - Flashcards

Thiamine mononitrate C12H17N5O4S structure – Flashcards

Flashcard maker : Aiden Boyd

Contents

Experimental Melting Point:
Predicted Melting Point:
Stability:
Toxicity:
Safety:

C12H17N5O4S structure

Molecular Formula	C₁₂H₁₇N₅O₄S
Average mass	327.359 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  190 °C TCI T0182
  
  198 °C Biosynth Q-201929
  
  196-200 °C FooDB FDB008426
Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  190 °C TCI
  
  190 °C TCI T0182
Miscellaneous
- Stability:
  
  Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
- Toxicity:
  
  IVN-DOG LD50 350 mg kg-1, IVN-RBT LD50 300 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
- Safety:
  
  IRRITANT Matrix Scientific 097272
  
  None. Oxford University Chemical Safety Data (No longer updated) More details
  
  P261; P262 Biosynth Q-201929

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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