7-(3-Brompropyl)-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dion
7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Grundinformationen
- CAS
23146-06-7- Standard-SMILES
Cn1c(=O)c2c(ncn2CCCBr)n(C)c1=O- InChIKey
IXYPCFPAFIVIGP-UHFFFAOYSA-N- Summenformel
- C10H13BrN4O2
- Durchschnittliche Molmasse
- 301,14 g/mol
- Monoisotopische Masse
- 300,02219
Namen und Bezeichner
- Bevorzugter Name
- 7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- IUPAC
- 7-(3-bromopropyl)-1,3-dimethylpurine-2,6-dione
- Lokaler Name
- 7-(3-Brompropyl)-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dion
- Englischer Name
- 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- Summenformel
- C10H13BrN4O2
- Molmasse
- 301.14
Namen und Synonyme
23146-06-77-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dioneEINECS 245-455-8DTXSID00177726RefChem:105687DTXCID60100217245-455-87-(3-bromopropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione7-(3-bromopropyl)-1,3-dimethylpurine-2,6-dione7-(3-Bromopropyl)theophylline1H-Purine-2,6-dione, 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-7-(3-bromopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Weitere Namen anzeigen
3,7-Dihydro-7-(3-bromopropyl)-1,3-dimethyl-1H-purine-2,6-dione
2TSM4WS9U4SCHEMBL3519782Theophylline, 7-(3-bromopropyl)-3-(theophyllin-7-yl)propyl bromideMFCD03237255AKOS030229092AS-71743CS-0217102
Datenbank-Bezeichner
- CAS
23146-06-7- PubChem CID
- 90018
- DTXSID
DTXSID00177726- UNII
- 2TSM4WS9U4
- EC Number
- 245-455-8
- Nikkaji
- J318.414E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 58,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 338
Physikochemische Eigenschaften
- storage temp.
- Store at room temperature
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anbieter5 Anbieter
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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