Introduction：Basic information about CAS 1123-54-2|8-Azaadenine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8-Azaadenine |
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| CAS Number | 1123-54-2 | Molecular Weight | 136.115 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 563.9±30.0 °C at 760 mmHg |
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| Molecular Formula | C4H4N6 | Melting Point | >300 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 329.4±11.8 °C |
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Names
| Name | 8-azaadenine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 563.9±30.0 °C at 760 mmHg |
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| Melting Point | >300 °C(lit.) |
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| Molecular Formula | C4H4N6 |
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| Molecular Weight | 136.115 |
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| Flash Point | 329.4±11.8 °C |
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| Exact Mass | 136.049744 |
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| PSA | 93.37000 |
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| LogP | -0.88 |
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| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
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| Index of Refraction | 1.875 |
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| InChIKey | HRYKDUPGBWLLHO-UHFFFAOYSA-N |
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| SMILES | Nc1ncnc2n[nH]nc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5680000
- CHEMICAL NAME :
- 1H-v-Triazolo(4,5-d)pyrimidin-7-amine
- CAS REGISTRY NUMBER :
- 1123-54-2
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C4-H4-N6
- MOLECULAR WEIGHT :
- 136.14
- WISWESSER LINE NOTATION :
- T56 BMNN FN HNJ IZ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 20 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,95,1981
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | XZ5680000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Articles27
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| Intersystem crossing to excited triplet state of aza analogues of nucleic acid bases in acetonitrile. J. Phys. Chem. A 113(44) , 12088-93, (2009) Excited state characteristics of aza analogues of nucleic acid bases, 8-azaadenine (8AA), 5-azacytosine (5AC), 8-azaguanine (8AG), and 6-azauracil (6AU), in acetonitrile solution were comprehensively ... | |
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Synonyms
| 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine |
| 8-Azaadenine |
| 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine |
| EINECS 214-375-5 |
| 2H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-amine |
| MFCD00005697 |
