p-[2-(Dimethylamino)ethoxy]benzylamin
p-(2-(Dimethylamino)ethoxy)benzylamine
Grundinformationen
- CAS
20059-73-8- Standard-SMILES
CN(C)CCOc1ccc(CN)cc1- InChIKey
OBHPRQNPNGQGCK-UHFFFAOYSA-N- Summenformel
- C11H18N2O
- Durchschnittliche Molmasse
- 194,27 g/mol
- Monoisotopische Masse
- 194,1419132
Überblick
4-[2-(Dimethylamino)ethoxy]benzylamine is an aromatic amine.
Namen und Bezeichner
- Bevorzugter Name
- p-(2-(Dimethylamino)ethoxy)benzylamine
- IUPAC
- 2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine
- Lokaler Name
- p-[2-(Dimethylamino)ethoxy]benzylamin
- Englischer Name
- 4-[2-(Dimethylamino)ethoxy]benzylamine
- Summenformel
- C11H18N2O
- Molmasse
- 194.27
Namen und Synonyme
20059-73-8p-(2-(Dimethylamino)ethoxy)benzylamine4-[2-(Dimethylamino)ethoxy]benzenemethanamineEINECS 243-491-9P-[2-(dimethylamino)ethoxy]benzylamineDTXSID101738704-(2-(Dimethylamino)ethoxy)benzenemethanamineRefChem:857920DTXCID9096361243-491-94-[2-(Dimethylamino)ethoxy]benzylamine2-(4-(Aminomethyl)phenoxy)-N,N-dimethylethanamine
Weitere Namen anzeigen
Itopride Impurity 34-[2-(DIMETHYLAMINA) 98+%Acetaminophen Impurity 11Itopride Impurity 6 DiHCl4-[2-(dimethylamino)ethoxy4-[2-(Dimethylamino)Ethoxy]Ben4-[2-(Dimethylamino)oxy]benzylamineP-[2-(Dimthylamino)ethoxy]benzylamine4-(2-(Dimethylamino)ethyl)benzylamine
2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamineBENZENEMETHANAMINE, 4-[2-(DIMETHYLAMINO)ETHOXY]-MFCD010752314-(2-dimethylamino)-ethoxybenzylamine{4-[2-(dimethylamino)ethoxy]phenyl}methanamine[2-(4-aminomethyl-phenoxy)-ethyl]-dimethyl-amine4-[2-(dimethylamino) ethoxy] benzylamineCHEMBL5218544
Datenbank-Bezeichner
- CAS
20059-73-8- PubChem CID
- 88349
- DTXSID
DTXSID10173870- ChEMBL
CHEMBL5218544- ChEBI
CHEBI:194737- UNII
- 45X4TW4GP8
- EC Number
- 243-491-9
- Nikkaji
- J280.433F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 38,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 142
Physikochemische Eigenschaften
- Siedepunkt
- 120 · 120-123 °C(Press: 0.3 Torr)
- Dichte
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.29 · 9.29±0.10(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- InChI
- InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
- InChIKey
- OBHPRQNPNGQGCK-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=C(OCCN(C)C)C=C1
- LogP
- 0.86 · 0.860 (est)
- CAS Datenbank
- 20059 · 20059-73-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2921490090
- risk_code
- 43
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
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