2-BOC-1,2,3,4-Tetrahydroisoquinoline-5-carboxylic acid
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Grundinformationen
- CAS
872001-50-8- Standard-SMILES
CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)O)C1- InChIKey
VSVCDLLWJXPCKF-UHFFFAOYSA-N- Summenformel
- C15H19NO4
- Durchschnittliche Molmasse
- 277,31 g/mol
- Monoisotopische Masse
- 277,13140809
Namen und Bezeichner
- Bevorzugter Name
- 2-BOC-1,2,3,4-Tetrahydroisoquinoline-5-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
- Englischer Name
- 2-Boc-1,2,3,4-Tetrahydroisoquinoline-5-Carboxylic Acid
- Summenformel
- C15H19NO4
- Molmasse
- 277.32
Namen und Synonyme
2-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXYLIC ACIDRefChem:465737800-333-9872001-50-82-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXYLIC ACIDMFCD030947392-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid3,4-Dihydro-1H-isoquinoline-2,5-dicarboxylic acid 2-tert-butyl ester2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acidDTXSID30623367AB13373AS-41717
Weitere Namen anzeigen
2-N-Boc-3,4-Dihydro-1H-isoquinoline-5-carboxylic acid2,5(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(1,1-d...2,5(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester
SY157297CS-0146217Z15056909212-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXYLICACIDSCHEMBL1857142SCHEMBL30647075XJB00150AKOS022183944
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 388
Physikochemische Eigenschaften
- Siedepunkt
- 432.5 · 432.5±45.0 °C(Predicted)
- Dichte
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.12 · 4.12±0.20(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Anbieter34 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
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