N-(3-Methoxyphenyl)piperazin

N-(3-methoxyphenyl)piperazine

HCID 81430CAS 16015-70-6

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Grundinformationen

Standard-SMILES: COc1cccc(N2CCNCC2)c1
InChIKey: PZIBVWUXWNYTNL-UHFFFAOYSA-N
Summenformel: C11H16N2O
Durchschnittliche Molmasse: 192,26 g/mol
Monoisotopische Masse: 192,12626314

Namen und Bezeichner

Bevorzugter Name: N-(3-methoxyphenyl)piperazine
IUPAC: 1-(3-methoxyphenyl)piperazine
Lokaler Name: N-(3-Methoxyphenyl)piperazin
Englischer Name: 1-(3-Methoxyphenyl)piperazine
Summenformel: C11H16N2O
Molmasse: 192.26

Namen und Synonyme

1-(3-Methoxyphenyl)piperazineN-(3-Methoxyphenyl)piperazinePiperazine, 1-(3-methoxyphenyl)-UNII-6LCP52962G6LCP52962GEINECS 240-154-81,3-MeOPP1-M-ANISYLPIPERAZINEDTXSID70166809PIPERAZINE, 1-(M-METHOXYPHENYL)-RefChem:161971DTXCID5089300

Weitere Namen anzeigen

LeterMovir-003AKOS BBS-00003611TIMTEC-BB SBB003619RARECHEM AH CK 0127Urapidil Impurity 30Letomovir Impurity 41Letermovir Impurity 15Letermovir Impurity 413-(1-Piperazinyl)anisoleOzefloxacin secondary IV

240-154-8861-977-4PZIBVWUXWNYTNL-UHFFFAOYSA-N16015-71-71-(3-methoxyphenyl)-piperazineMFCD000407333-MeOPPCHEMBL59597

Datenbank-Bezeichner

CAS: 16015-70-6、16015-71-7
PubChem CID: 81430
DTXSID: DTXSID70166809
ChEMBL: CHEMBL59597
UNII: 6LCP52962G
EC Number: 240-154-8、861-977-4
Nikkaji: J219.938F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-204°C
Siedepunkt: 150 °C/0.5 · 150 °C/0.5 mmHg (lit.)
Dichte: 1.114 g/mL · 1.114 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5815(lit.)
Flammpunkt: 195 °F · 195 °F
Löslichkeit: 10 mg/ml; · DMF: 10 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
pka: 8.98 · 8.98±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Stabilität: Air Sensitive
InChI: InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
InChIKey: PZIBVWUXWNYTNL-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC(OC)=C2)CCNCC1
CAS Datenbank: 16015 · 16015-71-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 Categories · 2 Einträge

Skin Corr. 1B (97.6%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3267 8/PG 3
hs_code: 29349990
risk_code: 34
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Beschreibung1-(3-Methoxyphenyl)piperazine (Item No. 19273) is an analytical reference standard categorized as a piperazine. This product is intended for research and forensic applications.