Grundinformationen
- Standard-SMILES
COc1ccc(C(=O)Nc2ccccc2)cc1N- InChIKey
LHMQDVIHBXWNII-UHFFFAOYSA-N- Summenformel
- C14H14N2O2
- Durchschnittliche Molmasse
- 242,27 g/mol
- Monoisotopische Masse
- 242,10552769
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-4-methoxybenzanilide
- IUPAC
- 3-amino-4-methoxy-N-phenylbenzamide
- Lokaler Name
- 3-Amino-4-methoxybenzanilid
- Englischer Name
- 3-Amino-4-methoxybenzanilide
- Summenformel
- C14H14N2O2
- Molmasse
- 242.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
120-35-4- PubChem CID
- 8426
- DTXSID
DTXSID0051607- UNII
- V5Y646AW8S
- EC Number
- 204-388-4
- Nikkaji
- J5.324D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 64,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 277
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 154 · 154-156°C
- Siedepunkt
- 385.1 °C · 385.1°C (rough estimate)
- Dichte
- 1.1338 · 1.1338 (rough estimate)
- Dampfdruck
- 0 · 0-0Pa at 25℃
- Brechungsindex
- 1.6419 · 1.6419 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.44 · 13.44±0.70(Predicted)
- Farbe
- White to Off-White
- InChI
- InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
- InChIKey
- LHMQDVIHBXWNII-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=CC=C1)(=O)C1=CC=C(OC)C(N)=C1
- LogP
- 2.08 at · 2.08 at 23℃ and pH7
- CAS Datenbank
- 120 · 120-35-4(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Benzamide, 3-amino-4-methoxy-N-phenyl- (120-35-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 70% (7 of 10) of all reports.
Warning
H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzamide, 3-amino-4-methoxy-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 3-amino-4-methoxy-N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11279
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2924297099
- RTECS-Nr.
- CV7400000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01183,
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Paint and Coating Manufacturing
Benzamide, 3-amino-4-methoxy-N-phenyl-: ACTIVE
Anwendungen
VerwendenDyes, pharmaceuticals, and other organic chemicals.
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