HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 85221Erstellt: 27. Oktober 2026
5-Methylisocytosine
Nsc 60208 · 2-amino-5-methyl-4-pyrimidinol · 2-amino-5-methylpyrimidin-4(1H)-one · 2-AMINO-5-METHYL-1H-PYRIMIDIN-6-ONE · 2-Amino-5-methylpyrimidin-4(3H)-one · 2-Amino-5-methyl-1H-pyrimidin-4-one · 2-Amino-5-methyl-4(3H)-pyrimidinone · 2-Amino-5-methyl-4(1h)-pyrimidinone
https://huagongshe.com/de/chemical/85221
Identifikatoren & physikalische Daten
| CAS No. | 15981-91-6 |
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| Summenformel | C5H7N3O |
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| Durchschnittliche Molmasse | 125,13 g/mol |
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| Monoisotopische Masse | 125,05891186 g/mol |
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| SMILES | Cc1cnc(N)[nH]c1=O |
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| InChIKey | YKUFMYSNUQLIQS-UHFFFAOYSA-N |
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| PubChem CID | 85221 |
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| EC No. | 863-203-0 |
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| DTXSID | DTXSID60166732 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
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| Polarare Oberfläche (TPSA) | 67,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| Schmelzpunkt | 277-279 °C |
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| Dichte | 1.44±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| Löslichkeit | DMSO (Slightly), Water (Slightly) |
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| pKa (Säurekonstante) | 9.74±0.50(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| InChI | 1S/C5H7N3O/c1-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9) |
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| InChIKey | YKUFMYSNUQLIQS-UHFFFAOYSA-N |
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| SMILES | NC(N=C1)=NC(O)=C1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 1 |
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| R-Sätze (R) | 41 |
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| Sicherheitshinweise (S) | 26-39 |
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| Lagerklasse | 11 - Combustible Solids |
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