4-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine

HCID 7537610CAS 515162-20-6

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Grundinformationen

Standard-SMILES: CN1CCN(Cc2ccc(CN)cc2)CC1
InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N
Summenformel: C13H21N3
Durchschnittliche Molmasse: 219,33 g/mol
Monoisotopische Masse: 219,17354768

Namen und Bezeichner

Bevorzugter Name: 4-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine
IUPAC: [4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
Englischer Name: [4-[(4-Methylpiperazin-1-yl)methyl]phenyl]methylamine
Summenformel: C13H21N3
Molmasse: 219.33

Namen und Synonyme

515162-20-64-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine4-[(4-Methyl-1-piperazinyl)methyl]benzenemethanamineRefChem:2864104-[(4-Methyl-1-piperazinyl)methyl]benzylamine[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamineMFCD08060530(4-[(4-Methylpiperazin-1-yl)methyl]phenyl)methylamine{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methylamine(4-((4-methylpiperazin-1-yl)methyl)phenyl)methanamineBenzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamine

Weitere Namen anzeigen

AKOS BB-89214-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZYLAMINE4-[(4-Methylpiperazin-1-yl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]-benzenemethanamine1-(4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL)METHANAMINE

Benzenemethanamine, 4-[(4-methyl-1-piperazinyl)methyl]-[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]METHYLAMINE1-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamineSCHEMBL111367DTXSID80428763HILINUGDTTXRNZ-UHFFFAOYSA-NQVA16220SBB095821

Datenbank-Bezeichner

CAS: 515162-20-6
PubChem CID: 7537610
DTXSID: DTXSID80428763
EC Number: 633-428-7
Nikkaji: J3.238.158H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 32,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Dichte: 1.0154 g/mL · 1.0154 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.547
Flammpunkt: 110 °C · 110 °C
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture and light
InChI: 1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)Cc2ccc(CN)cc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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 exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.