1-Benzhydrylpiperazin

Benzhydrylpiperazine

HCID 70048CAS 841-77-0

Grundinformationen

Standard-SMILES
c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
Summenformel
C17H20N2
Durchschnittliche Molmasse
252,35 g/mol
Monoisotopische Masse
252,16264865

Namen und Bezeichner

Bevorzugter Name
Benzhydrylpiperazine
IUPAC
1-benzhydrylpiperazine
Lokaler Name
1-Benzhydrylpiperazin
Englischer Name
1-Benzhydrylpiperazine
Summenformel
C17H20N2
Molmasse
252.35

Namen und Synonyme

1-Benzhydrylpiperazine841-77-01-(Diphenylmethyl)piperazineBenzhydrylpiperazineNorcyclizine4-BenzhydrylpiperazineN-(Diphenylmethyl)piperazinePiperazine, 1-(diphenylmethyl)-NU6V5ZHD9PNSC-35536DTXSID80232968RefChem:166584
Weitere Namen anzeigen
NSC 35536AKOS NCG1-0108AKOS BBS-00003601TIMTEC-BB SBB003136Benzhydrol piperzineLABOTEST-BB LT00454383
DTXCID10155459212-667-7Diphenylmethylpiperazine1-Benzhydryl-piperazineN-BenzhydrylpiperazineNormethylcyclizineCinnarizine EP Impurity AMFCD00038379

Datenbank-Bezeichner

CAS
841-77-0
PubChem CID
70048
DTXSID
DTXSID80232968
ChEMBL
CHEMBL1490469
UNII
NU6V5ZHD9P
EC Number
212-667-7
Nikkaji
J29.024F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
15,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

Solubility25 [ug/mL] (The mean of the results at pH 7.4)
Kovats Retention Index2219

Physikochemische Eigenschaften

Schmelzpunkt
90 · 90-93 °C
Siedepunkt
185 °C/2mmHg · 185°C/2mmHg(lit.)
Dichte
1.0546 · 1.0546 (rough estimate)
Dampfdruck
0.001 Pa · 0.001Pa at 20℃
Brechungsindex
1.5794 · 1.5794 (estimate)
Flammpunkt
115 °C · 115 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (13.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (11.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (11.5%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.;There are 9 notifications provided by 51 of 52 reports by companies with hazard statement code(s).;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

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243
Hazard Classes and CategoriesAcute Tox. 4 (92.3%);Skin Irrit. 2 (13.5%);Eye Irrit. 2A (13.5%);Acute Tox. 4 (11.5%);STOT SE 3 (11.5%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243

Sicherheitsdaten

F
34
wgk
3
hs_code
29339900
RTECS-Nr.
TL6465000
risk_code
22
hazard_code
Xn,Xi

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites1-Benzhydrylpiperazine is a known human metabolite of cinnarizine.

Anwendungen

Verwenden1-Benzhydrylpiperazine is an intermediate used in drug synthesis

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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