8-AZAADENINE ,1123-54-2 _Chemical Cloud Database

8-AZAADENINE

Basic Information
Product Name：	8-AZAADENINE
CAS：	1123-54-2
English Synonyms：	8-AZAADENINE 99-100% ; 8-AZAADENINE ; 7-AMINO-4,6-DIAZABENZOTRIAZOLE ; 1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-7-AMINE ; 7-AMINO-1H-TRIAZOLO[4,5-D]PYRIMIDINE ; 7-AMINO-1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE ; 1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-YLAMINE ; 6-AMINO-8-AZAPURINE ; 7-AMINO-1H-TRIAZOLO(4,5-D)PYRIMIDINE ; 8-AZA-6-AMINOPURINE
MDL Number.：	MFCD00005697
H bond acceptor：	6
H bond donor：	2
Smile：	c1nc(c2c(n1)nn[nH]2)N
InChi：	InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChiKey：	InChIKey=HRYKDUPGBWLLHO-UHFFFAOYSA-N
Property
Melting Point：	>300 DEG C(LIT)/320°C(Lit.)
Comments：	GENERAL DESCRIPTION: BASE PAIRS OF AZAADENINE WITH THYMINE (AND AZAGUANINE WITH CYTOSINE) ARE FOUND BY AB INITIO CALCULATION TO BE UP TO 7 KCAL/MOL MORE STABLE THAN NATURAL AT (AND GC) BASE PAIRS WGK: 3
Safety information
WGK Germany：	3

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