2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole-1-carboxylic acid
Grundinformationen
- CAS
6649-91-8- Standard-SMILES
O=C(O)C1NCCc2c1[nH]c1ccccc21- InChIKey
XGCIVVYTCDKDLC-UHFFFAOYSA-N- Summenformel
- C12H12N2O2
- Durchschnittliche Molmasse
- 216,24 g/mol
- Monoisotopische Masse
- 216,08987762
Namen und Bezeichner
- Bevorzugter Name
- 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole-1-carboxylic acid
- IUPAC
- 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
- Englischer Name
- 1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-1-CARBOXYLIC ACID
- Summenformel
- C12H12N2O2
- Molmasse
- 216.24
Namen und Synonyme
6649-91-82,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-1-CARBOXYLIC ACID2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole-1-carboxylic acidDTXSID409041741H-Pyrido(3,4-b)indole-1-carboxylic acid, 2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-1-carboxylic acid, 2,3,4,9-tetrahydro-1H,2H,3H,4H,9H-pyrido(3,4-b)indole-1-carboxylic acidRefChem:441716DTXCID301332095809-744-81,2,3,4-TETRAHYDRO-BETA-CARBOLINE-1-CARBOXYLIC ACID
Weitere Namen anzeigen
1,2,3,4-Tetrahydro-β-carboline-1-carboxylic acid
1,2,3,4-Tetrahydro-|A-carboline-1-carboxylic AcidMFCD00227826NSC6294232,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylic acid2,3,4,9-tetrahydro-1H-b-carboline-1-carboxylic acidCHEMBL246101102991-38-8DL-1,2,3,4-Tetrahydronorharmane-1-carboxylic acid
Datenbank-Bezeichner
- CAS
6649-91-8- PubChem CID
- 145879
- DTXSID
DTXSID40904174- ChEMBL
CHEMBL246101- EC Number
- 809-744-8
- Nikkaji
- J942.111D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 65,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 295
Physikochemische Eigenschaften
- Schmelzpunkt
- 210 · 210-212C
- Siedepunkt
- 498.3 · 498.3±45.0 °C(Predicted)
- Dichte
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- Löslichkeit
- Aqueous Base (Slightly), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 1.78 · 1.78±0.20(Predicted)
- Farbe
- Pale Beige to Light Brown
- InChI
- 1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)
- InChIKey
- XGCIVVYTCDKDLC-UHFFFAOYSA-N
- SMILES
- OC(=O)C1NCCc2c1[nH]c3ccccc23
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Sicherheitsdaten
- wgk
- WGK 3
- risk_code
- 22-51/53
- hazard_code
- N
- safety_code
- 61
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2
Chemie und Industrie
Anwendungen
Verwenden1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-1-CARBOXYLIC ACID is used in the study of neurodegenerative diseases.
Anbieter23 Anbieter
上海埃逸科技有限公司13916181326 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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