2-Methoxy-4-(4-methylpiperazin-1-yl)aniline

HCID 20136253

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Grundinformationen

CAS: 122833-04-9
Standard-SMILES: COc1cc(N2CCN(C)CC2)ccc1N
InChIKey: LUYPGLRYFIVYTH-UHFFFAOYSA-N
Summenformel: C12H19N3O
Durchschnittliche Molmasse: 221,3 g/mol
Monoisotopische Masse: 221,15281224

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 2-methoxy-4-(4-methylpiperazin-1-yl)aniline
Englischer Name: 1-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE
Summenformel: C12H19N3O
Molmasse: 221.3

Namen und Synonyme

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline122833-04-9DTXSID90602870RefChem:262556DTXCID00553627887-568-0Benzenamine, 2-methoxy-4-(4-methyl-1-piperazinyl)-MFCD118489541-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE2-Methoxy-4-(4-methyl-1-piperazinyl)anilineSCHEMBL438444BENZENAMINE, 2-METHOXY-4-(4-METHYL-1-PIPERAZINYL)

Weitere Namen anzeigen

2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenylamine2-Methoxy-4-(4-methylpiperazin-1-yl)2-methoxy-4-(4-methylazine-1-yl)benzeneamine2-Methoxy-4-(4-methylpiperazin-1-yl)benzenamine2-Methoxy-4-(4-methyl-1-piperazinyl)benzenamineMorphinan-3,14-diol,4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-,(5α,6α)-,ethanedioate(1:4)(salt)

LUYPGLRYFIVYTH-SCHEMBL29446146LUYPGLRYFIVYTH-UHFFFAOYSA-NCS-M2488SC5116AKOS012981420NCGC00386579-01AC-27545

Datenbank-Bezeichner

CAS: 122833-04-9
PubChem CID: 20136253
DTXSID: DTXSID90602870
EC Number: 887-568-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 41,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-74°
Siedepunkt: 392 ℃ · 392℃
Dichte: 1.111 · 1.111
Flammpunkt: 191 ℃ · 191℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 7.78 · 7.78±0.42(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.