3-(Piperidin-1-yl)benzoic acid

HCID 2795552

Grundinformationen

CAS
77940-94-4
Standard-SMILES
O=C(O)c1cccc(N2CCCCC2)c1
InChIKey
FLQRORYAJSTYLT-UHFFFAOYSA-N
Summenformel
C12H15NO2
Durchschnittliche Molmasse
205,25 g/mol
Monoisotopische Masse
205,11027872

Namen und Bezeichner

Bevorzugter Name
3-(Piperidin-1-yl)benzoic acid
IUPAC
3-piperidin-1-ylbenzoic acid
Englischer Name
3-Piperidinobenzoic acid
Summenformel
C12H15NO2
Molmasse
205.25

Namen und Synonyme

3-(piperidin-1-yl)benzoic acidRefChem:495863630-123-077940-94-43-Piperidinobenzoic acid3-Piperidin-1-yl-benzoic acid3-piperidin-1-ylbenzoic acid3-(1-Piperidinyl)benzoic acidMFCD066590813-piperidylbenzoic acid1-(3-Carboxyphenyl)piperidineMinoxidil Impurity 29
Weitere Namen anzeigen
TIMTEC-BB SBB010196Minoxidil Impurity 36ASINEX-REAG BAS 12456716Benzoic acid, 3-(1-piperidinyl)-Terbufos Impurity 4 (Terbufoxon Sulfone)
3-(1-Piperidyl)benzoic Acid3-(piperidin-1-yl)benzoicacidorb3030996SCHEMBL1517128SCHEMBL29630979DTXSID30383772CHEBI:195075FLQRORYAJSTYLT-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
77940-94-4
PubChem CID
2795552
DTXSID
DTXSID30383772
ChEBI
CHEBI:195075
EC Number
630-123-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
15

Physikochemische Eigenschaften

Schmelzpunkt
120 °C · 120 °C
storage temp.
Store at Room Tem.
Aggregatzustand
powder
Farbe
Off-white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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 (100%)

Sicherheitsdaten

hs_code
2933399990
risk_code
36
hazard_code
Xi
safety_code
26
hazard_class
IRRITANT

Chemie und Industrie

Anbieter23 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

Zugehörige Reaktionen

2

Notizen zur Verbindung

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