3-Amino-4-methoxybenzanilid

Red based KD · AMBA · AMAN · Red KD Base · FAST RED KD BASE · 3-AMINO-P-ANISANILIDE · LABOTEST-BB LT01138545 · 4-Methoxy-3-aminobenzanilide

Identifikatoren & physikalische Daten

CAS No.	120-35-4
Summenformel	C14H14N2O2
Durchschnittliche Molmasse	242,27 g/mol
Monoisotopische Masse	242,10552769 g/mol
SMILES	COc1ccc(C(=O)Nc2ccccc2)cc1N
InChIKey	LHMQDVIHBXWNII-UHFFFAOYSA-N
PubChem CID	8426
EC No.	204-388-4
DTXSID	DTXSID0051607
Lokaler Name	3-Amino-4-methoxybenzanilid

XLogP	2
Polarare Oberfläche (TPSA)	64,4
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	18
Formalladung	0
Komplexität	277
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	CBI
Schmelzpunkt	154-156°C
Siedepunkt	385.1°C (rough estimate)
Dichte	1.1338 (rough estimate)
Dampfdruck	0-0Pa at 25℃
Brechungsindex	1.6419 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	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 (Verteilungskoeffizient)	2.08 at 23℃ and pH7
CAS Datenbank	120-35-4(CAS DataBase Reference)
EPA chemische Informationen	Benzamide, 3-amino-4-methoxy-N-phenyl- (120-35-4)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 70% (7 of 10) of all reports.WarningH315 (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.
Regulatorische Informationen	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
Hazard Classes and Categories	Skin Irrit. 2 (30%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2924297099
RTECS-Nr.	CV7400000
R-Sätze (R)	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,
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT

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