2-(1-Methylethoxy)benzenamine

HCID 34436CAS 29026-74-2

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Grundinformationen

Standard-SMILES: CC(C)Oc1ccccc1N
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 2-(1-Methylethoxy)benzenamine
IUPAC: 2-propan-2-yloxyaniline
Englischer Name: 2-isopropoxyaniline
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

2-Isopropoxyaniline29026-74-2Benzenamine, 2-(1-methylethoxy)-o-Isopropoxyaniline2-(1-Methylethoxy)benzenamineOrtho-isopropoxyaniline8M3MFC22JXDTXSID20183268RefChem:87718DTXCID30105759249-377-52-(propan-2-yloxy)aniline

Weitere Namen anzeigen

ANILINE, o-ISOPROPOXY-2-(1-Methylethoxy)anilineo-Izopropoksyanilina [Polish](2-isopropoxyphenyl)amine sulfate(2-isopropoxyphenyl)amine(SALTDATA: HCl)

2-Isopropoxy-phenylamine2-propan-2-yloxyanilineo-IpaMFCD00242947o-Izopropoksyanilina2-isopropoxyaniline sulfate2-(methylethoxy)phenylamine0-isopropoxyaniline

Datenbank-Bezeichner

CAS: 29026-74-2
PubChem CID: 34436
DTXSID: DTXSID20183268
UNII: 8M3MFC22JX
EC Number: 249-377-5
Nikkaji: J286.504A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-141℃
Siedepunkt: 273.23 °C · 273.23°C (rough estimate)
Dichte: 1.0406 · 1.0406 (rough estimate)
Brechungsindex: 1.538 · 1.5380 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 5.17 · 5.17±0.10(Predicted)
InChI: 1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccccc1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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.