4-Phenyl-1,2,3,6-tetrahydropyridinhydrochlorid

4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride

HCID 2723860

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Grundinformationen

CAS: 43064-12-6
Standard-SMILES: C1=C(c2ccccc2)CCNC1.Cl
InChIKey: POGWXTJNUCZEPR-UHFFFAOYSA-N
Summenformel: C11H14ClN
Durchschnittliche Molmasse: 195,69 g/mol
Monoisotopische Masse: 195,08147713

Namen und Bezeichner

Bevorzugter Name: 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
IUPAC: 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride
Lokaler Name: 4-Phenyl-1,2,3,6-tetrahydropyridinhydrochlorid
Englischer Name: 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
Summenformel: C11H14ClN
Molmasse: 195.69

Namen und Synonyme

4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride43064-12-6EINECS 256-071-5DTXSID30195670Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride (1:1)RefChem:526305DTXCID70118161256-071-51,2,3,6-Tetrahydro-4-phenylpyridine HydrochlorideMFCD000127524-phenyl-1,2,3,6-tetrahydropyridine;hydrochloridePyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride

Weitere Namen anzeigen

4-Phenyl-1TIMTEC-BB SBB0035896-tetrahydropyridine hydrochloride4-PHENYL-1,2,3,6-TELRAHYDROPYRIDINE4-Phenyl-1,2,3,6-tetrahydroxpyridine4-Phenyl-1,2,3,6-tetrahydropyridine NCl4-(1-cyclohex-3-enyl)pyridine hydrochloride

CHEMBL19018024-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE HCL4-phenyl-1,2,5,6-tetrahydropyridine, chlorideLE568W6SJVMLS001047252SCHEMBL446973STR04870SBB003589

Datenbank-Bezeichner

CAS: 43064-12-6
PubChem CID: 2723860
DTXSID: DTXSID30195670
ChEMBL: CHEMBL1901802
UNII: LE568W6SJV
EC Number: 256-071-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 166

Experimentelle und physikochemische Eigenschaften

Solubility24.9 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 202 · 202-203.5 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: Soluble
Stabilität: Hygroscopic
InChI: 1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
InChIKey: POGWXTJNUCZEPR-UHFFFAOYSA-N
SMILES: Cl[H].C1CC(=CCN1)c2ccccc2
CAS Datenbank: 43064 · 43064-12-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 23/24/25-40-20/21/22
hazard_code: T,Xn
safety_code: 28-36/37/39-38-45-28A-36
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 2