Grundinformationen
- Standard-SMILES
CCN(Cc1ccccc1)c1cccc(C)c1- InChIKey
VIACAIAQHPLINF-UHFFFAOYSA-N- Summenformel
- C16H19N
- Durchschnittliche Molmasse
- 225,33 g/mol
- Monoisotopische Masse
- 225,15174961
Namen und Bezeichner
- Bevorzugter Name
- N-Benzyl-N-ethyl-m-toluidine
- IUPAC
- N-benzyl-N-ethyl-3-methylaniline
- Lokaler Name
- N-Benzyl-N-ethyl-m-toluidin
- Englischer Name
- Ethylbenzyltoluidine
- Summenformel
- C16H19N
- Molmasse
- 225.33
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
119-94-8- PubChem CID
- 67076
- DTXSID
DTXSID3059501- UNII
- LK3LC8CT3L
- EC Number
- 204-359-6
- Nikkaji
- J29.592B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 208
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 161 · 161-162 °C(lit.)
- Dichte
- 0.77 g/mL · 0.770 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.5870(lit.)
- Flammpunkt
- 171 °F · 171 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- pka
- 5.4 · 5.40±0.50(Predicted)
- InChI
- InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
- InChIKey
- VIACAIAQHPLINF-UHFFFAOYSA-N
- SMILES
- C1(CN(CC)C2=CC=CC(C)=C2)=CC=CC=C1
- CAS Datenbank
- 119 · 119-94-8(CAS DataBase Reference)
- NIST chemische Informationen
- Benzenemethanamine, n-ethyl-n-(3-methylphenyl)-(119-94-8)
- EPA chemische Informationen
- N-Benzyl-N-ethyl-m-toluidine (119-94-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Regulatorische Informationen
Regulatory Information
Chemical: Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3460 6.1/PG III (N-ETHYLBENZYLTOLUIDINES, SOLID)
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 6.1
Chemie und Industrie
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