1-Methyl-3-phenylpiperazine

HCID 2760009CAS 5271-27-2

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Grundinformationen

Standard-SMILES: CN1CCNC(c2ccccc2)C1
InChIKey: IRMBVBDXXYXPEW-UHFFFAOYSA-N
Summenformel: C11H16N2
Durchschnittliche Molmasse: 176,26 g/mol
Monoisotopische Masse: 176,13134851

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-3-phenylpiperazine
IUPAC: 1-methyl-3-phenylpiperazine
Englischer Name: 1-Methyl-3-phenylpiperazine
Summenformel: C11H16N2
Molmasse: 176.26

Namen und Synonyme

1-Methyl-3-phenylpiperazine5271-27-21-methyl-3-phenyl-1-piperazine2ZO535841FDTXSID30967157EC 431-180-2RefChem:434251DTXCID70867521(+-)-3-PHENYL-1-METHYLPIPERAZINE3-PHENYL-1-METHYLPIPERAZINE, (+-)-431-180-2610-888-7

Weitere Namen anzeigen

1-Methyl-3-phenylMirtazapine Intermediate 11-Methyl-3-PhenylpiperzineN-METHYL-3-PHENYLPIPERAZINELevodropropizine Impurity 631-Methyl-3-phenylpiperazine>1-methyl-3-phenyl-1-piperazine

1-methyl-3-phenyl-piperazineMFCD034116031-n-methyl-3-phenyl-piperazine(+/-)-3-PHENYL-1-METHYLPIPERAZINE3-Phenyl-1-methylpiperazine, (+/-)-EN300-134951-methyl-3-phenyl piperazinePIPERAZINE, 1-METHYL-3-PHENYL-

Datenbank-Bezeichner

CAS: 5271-27-2
PubChem CID: 2760009
DTXSID: DTXSID30967157
ChEMBL: CHEMBL2177127
UNII: 2ZO535841F
EC Number: 431-180-2、610-888-7
Nikkaji: J1.647.659E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-60 °C (lit.)
Siedepunkt: 85 °C · 85 °C
Dichte: 0.991 · 0.991±0.06 g/cm3(Predicted)
Flammpunkt: 85 °C/0.5mm · 85°C/0.5mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 8.52 · 8.52±0.40(Predicted)
Aggregatzustand: Needles or Crystals
Farbe: Pale yellow
Wasserlöslichkeit: soluble
InChI: InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey: IRMBVBDXXYXPEW-UHFFFAOYSA-N
SMILES: N1(C)CCNC(C2=CC=CC=C2)C1
CAS Datenbank: 5271 · 5271-27-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 26-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9225

Hazard Classes and Categories · 4 Einträge

Acute Tox. 3 (100%)

Acute Tox. 3 (75%)

Acute toxicity - category 4

Acute Tox. 4 *

Sicherheitsdaten

wgk: 3
ridadr: UN 2923 8/PG 3
hs_code: 29335990
risk_code: 25-34-36/37/38
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden1-Methyl-3-phenylpiperazine used as reference materials for forensic laboratories. They affect the central and the autonomic nervous systems, the blood pressure, and smooth muscle.