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6-amino-5-formamido-1,3-dimethyluracil

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6-amino-5-formamido-1,3-dimethyluracil Basic information

Product Name:
6-amino-5-formamido-1,3-dimethyluracil
Synonyms:
  • 6-amino-5-formamido-1,3-dimethyluracil
  • 6-Amino-5-(N-Formylamino)-1,3-Dimethyl Uracil
  • 1,3-Dimethyl-4-amino-5-formyl urazine
  • 6-Amino-1,3-dimethyl-5-(formylamino) uracil (Caffeine Imp B) solution
  • Caffeine Impurity B
  • Caffeine Impurity B/Theophylline EP Impurity C
  • Theophylline-ethylenediamine Impurity 3(Theophylline-ethylenediamine EP Impurity C)
  • N-[(6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxopyrimidin)-5-yl]formamide
CAS:
7597-60-6
MF:
C7H10N4O3
MW:
198.18
EINECS:
231-501-4
Mol File:
7597-60-6.mol
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6-amino-5-formamido-1,3-dimethyluracil Chemical Properties

Melting point:
265-267℃
Boiling point:
347.5±52.0 °C(Predicted)
Density 
1.46±0.1 g/cm3 (20 ºC 760 Torr)
storage temp. 
-20°C
solubility 
DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form 
Solid
pka
12.58±0.20(Predicted)
color 
White to Off-White
Stability:
Hygroscopic
InChI
InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)
InChIKey
ZNDGAXCBZGSJGU-UHFFFAOYSA-N
SMILES
C(NC1=C(N)N(C)C(=O)N(C)C1=O)=O
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Safety Information

RIDADR 
UN 1648 3 / PGII
HS Code 
2933599550
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6-amino-5-formamido-1,3-dimethyluracil Usage And Synthesis

Uses

6-Amino-5-1,3-dimethyl-5-(formamido)uracil is a substitued uracilic metabolite of methylxanthine and is also a metabolite of Theophylline (T343850). 6-Amino-5-1,3-dimethyl-5-(formamido)uracil has been used for the synthesis of 8-arylaminotheophyllines.

Definition

ChEBI: 6-Amino-5-formamido-1,3-dimethyluracil is an aromatic amide.

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