6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
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Grundinformationen
- CAS
387350-41-6- Standard-SMILES
O=C(O)c1ccc(CCN2CCCC2)nc1- InChIKey
JNYWIOXOYFVKQG-UHFFFAOYSA-N- Summenformel
- C12H16N2O2
- Durchschnittliche Molmasse
- 220,27 g/mol
- Monoisotopische Masse
- 220,12117776
Namen und Bezeichner
- Bevorzugter Name
- 6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
- IUPAC
- 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
- Englischer Name
- 6-(2-Pyrrolidin-1-ylethyl)nicotinicacid
- Summenformel
- C12H16N2O2
- Molmasse
- 220.27
Namen und Synonyme
6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid6-[2-(Pyrrolidin-1-yl)ethyl]nicotinic acidRefChem:539161674-433-4387350-41-66-[2-(pyrrolidin-1-yl)ethyl]pyridine-3-carboxylic acid6-(2-Pyrrolidin-1-ylethyl)nicotinic acid6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid6-(2-PYRROLIDIN-1-YLETHYL)NICOTINICACIDMFCD013193526-[2-(1-Pyrrolidinyl)ethyl]nicotinic Acid2-[2-(pyrrolidin-1-yl)ethyl]pyridine-5-carboxylic acid
Weitere Namen anzeigen
6-(2-PYRROLIDIN-1-YLETHYL)NICOTINIC ACID, 95+%6-[2-(Pyrrolidin-1-yl)ethyl]nicotinic acid 95%6-[2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-[2-(1-pyrrolidinyl)ethyl]-6-[2-(Pyrrolidin-1-yl)ethyl]pyridine-3-carboxylic acid, 5-Carboxy-2-[2-(pyrrolidin-1-yl)ethyl]pyridine
Peakdale1_000875SCHEMBL63765CHEMBL5483676HMS520H17DTXSID40371948JNYWIOXOYFVKQG-UHFFFAOYSA-NSBB053036AKOS005145673
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 53,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 239
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 · 198-205°C
- Siedepunkt
- 372.5 · 372.5±32.0 °C(Predicted)
- Dichte
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.22 · 2.22±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- Yellow/light brown
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]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Anbieter23 Anbieter
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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