6-Benzamidopurine
Grundinformationen
- CAS
4005-49-6- Standard-SMILES
O=C(Nc1ncnc2nc[nH]c12)c1ccccc1- InChIKey
QQJXZVKXNSFHRI-UHFFFAOYSA-N- Summenformel
- C12H9N5O
- Durchschnittliche Molmasse
- 239,23 g/mol
- Monoisotopische Masse
- 239,08070993
Namen und Bezeichner
- Bevorzugter Name
- 6-Benzamidopurine
- IUPAC
- N-(7H-purin-6-yl)benzamide
- Englischer Name
- N-Benzoylaminopurine
- Summenformel
- C12H9N5O
- Molmasse
- 239.23
Namen und Synonyme
N6-Benzoyladenine4005-49-66-BenzamidopurineBenzamide, N-1H-purin-6-yl-n-benzoyladenine7BQB2WI1II6-N-BenzoyladenineAdenine, N-benzoyl-6-benzoyladenineNSC 98641ADENINE, N6-BENZOYL-NSC-98641
Weitere Namen anzeigen
N6-BENZOYLAMINOPURINEN-(7H-purin-6-yl)benzamideN-BZ-ADEN4-Bz-adenineN-(9H-Purin-6-yLN4-Benzoyl adenine6-Benzoylaminopurin
6-(BENZOYLAMINO)PURINEDTXSID90193112N-9H-PURIN-6-YLBENZAMIDEBENZAMIDE, N-PURIN-6-YL-BENZAMIDE, N-9H-PURIN-6-YL-1H-PURINE, 6-(BENZOYLAMINO)-RefChem:540436DTXCID00115603
Datenbank-Bezeichner
- CAS
4005-49-6- PubChem CID
- 97075
- DTXSID
DTXSID90193112- ChEMBL
CHEMBL525721- ChEBI
CHEBI:177659- UNII
- 7BQB2WI1II
- EC Number
- 629-048-6
- Nikkaji
- J3.754.741G、J715.610C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 83,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 305
Physikochemische Eigenschaften
- Schmelzpunkt
- 242 · 242-244°C
- Dichte
- 1.494 g/cm3 · 1.494 g/cm3
- storage temp.
- 2 · 2-8°C
- Wasserlöslichkeit
- Insoluble in water
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- powder to crystal
- pka
- 11.98 · 11.98±0.20(Predicted)
- Farbe
- White to Almost white
- BRN
- 20585 · 20585
- InChI
- InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
- InChIKey
- QQJXZVKXNSFHRI-UHFFFAOYSA-N
- SMILES
- C(NC1=C2C(=NC=N1)NC=N2)(=O)C1=CC=CC=C1
- CAS Datenbank
- 4005 · 4005-49-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationBenzamide, N-1H-purin-6-yl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (100%)
Regulatorische Informationen
Regulatory InformationBenzamide, N-1H-purin-6-yl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
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