2,2-Diphenyl-4-piperidin-1-ylbutanenitrile

Fenpiverinium bromide IHS Impurity C · 1-Piperidinebutanenitrile, α,α-diphenyl- · 2,2-diphenyl-4-(1-piperidyl)butanenitrile · 2,2-DIPHENYL-4-PIPERIDIN-1-YL-BUTYRONITRILE · 2,2-Diphenyl-4-(piperidin-1-yl)butanenitrile

https://huagongshe.com/de/chemical/224577

Molekülstruktur von 2,2-Diphenyl-4-piperidin-1-ylbutanenitrile

Identifikatoren & physikalische Daten

CAS No.	5424-08-8
Summenformel	C21H24N2
Durchschnittliche Molmasse	304,4 g/mol
Monoisotopische Masse	304,19394877 g/mol
SMILES	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIKey	VXPUAJALRVCLNP-UHFFFAOYSA-N
PubChem CID	224577
ChEMBL	CHEMBL2205324
EC No.	168-293-9
DTXSID	DTXSID20279559

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	27
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	5
Schwere Atome	23
Formalladung	0
Komplexität	371
Schmelzpunkt	76 °C
Siedepunkt	234-235 °C(Press: 7 Torr)
Dichte	1.063±0.06 g/cm3(Predicted)
Löslichkeit	soluble in Chloroform
Aggregatzustand	Solid
pKa (Säurekonstante)	8.65±0.10(Predicted)
Farbe	Amber

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)Aquatic Chronic 4 (100%)

GHS-Einstufung

DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)Aquatic Chronic 4 (100%)