(5,6-Dimethyl-1H-benzimidazol-1-yl)acetic acid
Grundinformationen
- CAS
500872-62-8- Standard-SMILES
Cc1cc2ncn(CC(=O)O)c2cc1C- InChIKey
FSWUHNJXLGYKCJ-UHFFFAOYSA-N- Summenformel
- C11H12N2O2
- Durchschnittliche Molmasse
- 204,22 g/mol
- Monoisotopische Masse
- 204,08987762
Namen und Bezeichner
- Bevorzugter Name
- (5,6-Dimethyl-1H-benzimidazol-1-yl)acetic acid
- IUPAC
- 2-(5,6-dimethylbenzimidazol-1-yl)acetic acid
- Englischer Name
- (5,6-DIMETHYL-1H-BENZIMIDAZOL-1-YL)ACETIC ACID
- Summenformel
- C11H12N2O2
- Molmasse
- 204.23
Namen und Synonyme
500872-62-8(5,6-dimethyl-1H-benzimidazol-1-yl)acetic acidDTXSID90329833RefChem:209330DTXCID202809282-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)acetic acid2-(5,6-Dimethyl-1H-1,3-Benzodiazol-1-Yl)Acetic Acid2-(5,6-dimethylbenzimidazol-1-yl)acetic acidMFCD080610492-(5,6-dimethylbenzimidazolyl)acetic acidNSC163160NSC-163160
Weitere Namen anzeigen
2-(5,6-Dimethyl-1H-benzo[d]imidazol-1-yl)1H-Benzimidazole-1-acetic acid, 5,6-dimethyl-
NCGC00014448NCIStruc1_000924NCIStruc2_000816SCHEMBL7848634CHEMBL1742310SCHEMBL30193179FSWUHNJXLGYKCJ-UHFFFAOYSA-NBBL012970
Datenbank-Bezeichner
- CAS
500872-62-8- PubChem CID
- 424323
- DTXSID
DTXSID90329833- ChEMBL
CHEMBL1742310- EC Number
- 676-460-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 257
Physikochemische Eigenschaften
- Siedepunkt
- 429.9 · 429.9±47.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.10(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C11H12N2O2/c1-7-3-9-10(4-8(7)2)13(6-12-9)5-11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
- InChIKey
- FSWUHNJXLGYKCJ-UHFFFAOYSA-N
- CAS Datenbank
- 500872 · 500872-62-8
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Anbieter4 Anbieter
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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