2-Amino-6-bromopurine
Grundinformationen
- CAS
82499-03-4- Standard-SMILES
Nc1nc(Br)c2[nH]cnc2n1- InChIKey
HPGBGNVPUMCKPM-UHFFFAOYSA-N- Summenformel
- C5H4BrN5
- Durchschnittliche Molmasse
- 214,02 g/mol
- Monoisotopische Masse
- 212,96500723
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-6-bromopurine
- IUPAC
- 6-bromo-7H-purin-2-amine
- Englischer Name
- 2-Amino-6-bromopurine
- Summenformel
- C5H4BrN5
- Molmasse
- 214.02
Namen und Synonyme
2-Amino-6-bromopurine82499-03-4DTXSID00422006RefChem:255795DTXCID903728496-bromo-7H-purin-2-amine6-bromo-9H-purin-2-amine6-bromo-1H-purin-2-amine6-bromo-9H-purin-2-ylamineMFCD013213096-bromopurine-2-ylaminePurine, 2-amino-6-bromo-
Weitere Namen anzeigen
6-BROMOGUANINEd2-Amino-6-bromopurine6-Bromo-3H-purin-2-amine9H-Purin-2-amine, 6-bromo-1H-Purin-2-aMine, 6-broMo-
SCHEMBL355361SCHEMBL355362SCHEMBL5368622-Amino-6-bromopurine, 95%HPGBGNVPUMCKPM-UHFFFAOYSA-NNSC67618BI 104MFCD18909733
Datenbank-Bezeichner
- CAS
82499-03-4- PubChem CID
- 6101139
- DTXSID
DTXSID00422006- EC Number
- 806-423-4
- Nikkaji
- J407.772E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 80,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 154
Physikochemische Eigenschaften
- Schmelzpunkt
- 350 °C · >350 °C (lit.)
- Siedepunkt
- 297.1 · 297.1±50.0 °C(Predicted)
- Dichte
- 2.54 · 2.54±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.58 · 6.58±0.20(Predicted)
- InChI
- 1S/C5H4BrN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
- InChIKey
- HPGBGNVPUMCKPM-UHFFFAOYSA-N
- SMILES
- Nc1nc(Br)c2nc[nH]c2n1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
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