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1123-54-2

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1123-54-2 Structure

1123-54-2 Structure

Identification	More
[Name] 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine
[CAS] 1123-54-2
[Synonyms] 1h-1,2,3-triazolo[4,5-d]pyrimidin-7-amine 6-Amino-8-azapurine 7-amino-1h-triazolo[4,5-d]pyrimidine 8-AZA-6-AMINOPURINE 8-AZAADENINE 1H-v-Triazolo(4,5-d)pyrimidin-7-amine 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino- 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-amine 3H-N-Triazolo(4,5-d)pyrimidin-7-amine 7-Amino-1H-v-triazolo(4,5-d)pyrimidine 7-Amino-1-v-triazolo(d)pyrimidine 7-Amino-v-triazolo(d)pyrimidine 8-Azapurine, 6-amino- Adenine, 8-aza- 8-AZAADENINE CRYSTALLINE 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine (9CI) 8-AZAADENINE 99-100% H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-7-AMINE 6-azaadenine 6-Amino-8-azapurine, 8-Aza-6-aminopurine
[EINECS(EC#)] 214-375-5
[Molecular Formula] C4H4N6
[MDL Number] MFCD00005697
[Molecular Weight] 136.11
[MOL File] 1123-54-2.mol

Chemical Properties	Back Directory
[Melting point ] >300 °C(lit.)
[Boiling point ] 240.36°C (rough estimate)
[density ] 1.3184 (rough estimate)
[refractive index ] 1.8750 (estimate)
[storage temp. ] 2-8°C
[solubility ] DMSO (Slightly), Methanol (Very Slightly, Heated, Sonicated)
[form ] Solid
[pka] 12.81±0.20(Predicted)
[color ] White to Off-White
[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] HRYKDUPGBWLLHO-UHFFFAOYSA-N
[SMILES] C1=NC(N)=C2N=NNC2=N1
[CAS DataBase Reference] 1123-54-2(CAS DataBase Reference)
[NIST Chemistry Reference] 8-Azaadenine(1123-54-2)
[EPA Substance Registry System] 1123-54-2(EPA Substance)

Questions And Answer	Back Directory
[Uses] 8-Azaadenine is a useful reagent in developing acyclic nucleotide analogs derived from 8-Azapurines.

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[WGK Germany ] 3
[RTECS ] XZ5680000
[F ] 10-23
[TSCA ] TSCA listed
[HazardClass ] IRRITANT
[HS Code ] 2933998090
[Toxicity] mouse,LD50,intraperitoneal,315mg/kg (315mg/kg),Pharmaceutical Chemistry Journal Vol. 11, Pg. 224, 1977.

Raw materials And Preparation Products	Back Directory
[Raw materials] Sulfuric acid-->Sodium-->Sodium nitrite-->Sodium dithionite-->Ethyl formate-->2-Aminoacetamidine

Hazard Information	Back Directory
[Chemical Properties] off-white powder
[Definition] ChEBI: A triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7.
[Purification Methods] 8-Azaadenine crystallises from H2O. [Beilstein 25 III/IV 4157.]

Spectrum Detail	Back Directory
[Spectrum Detail] 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine(1123-54-2)MS 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine(1123-54-2)¹HNMR 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine(1123-54-2)IR1 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine(1123-54-2)IR2

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 1123-54-2(sigmaaldrich)
[TCI AMERICA] 8-Azaadenine,>99.0%(T)(1123-54-2)

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