1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
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Grundinformationen
- CAS
123811-87-0- Standard-SMILES
CC(C)(C)OC(=O)N1c2ccccc2CCC1C(=O)O- InChIKey
NGYOAZMYTIAOTI-UHFFFAOYSA-N- Summenformel
- C15H19NO4
- Durchschnittliche Molmasse
- 277,31 g/mol
- Monoisotopische Masse
- 277,13140809
Namen und Bezeichner
- Bevorzugter Name
- 1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
- Englischer Name
- 1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
- Summenformel
- C15H19NO4
- Molmasse
- 277.32
Namen und Synonyme
1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acidRefChem:418922674-831-8123811-87-01-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid1-boc-3,4-dihydro-2h-quinoline-2-carboxylic acidMFCD041152771-boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acidSCHEMBL1050563
Weitere Namen anzeigen
REF DUPL: 1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid3,4-DIHYDRO-2H-QUINOLINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid, CAS 123811-87-01,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
SCHEMBL29443098DTXSID10600333NGYOAZMYTIAOTI-UHFFFAOYSA-N1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylicacidAKOS015841426AB19850AB19851SB32102
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- 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
- 428.8 · 428.8±44.0 °C(Predicted)
- Dichte
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.78 · 3.78±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
H302 (50%): Harmful if swallowed [Warning 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+P317, 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)
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 CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933491090
Chemie und Industrie
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