3-아미노-4-메톡시벤즈아닐리드

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

식별자 및 물리적 특성

CAS No.	120-35-4
분자식	C14H14N2O2
평균 분자량	242.27 g/mol
단동위원소 질량	242.10552769 g/mol
SMILES	COc1ccc(C(=O)Nc2ccccc2)cc1N
InChIKey	LHMQDVIHBXWNII-UHFFFAOYSA-N
PubChem CID	8426
EC No.	204-388-4
DTXSID	DTXSID0051607
현지명	3-아미노-4-메톡시벤즈아닐리드

XLogP	2
극성 표면적	64.4
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	18
형식 전하	0
복잡도	277
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	CBI
녹는점	154-156°C
끓는 점	385.1°C (rough estimate)
밀도	1.1338 (rough estimate)
증기압	0-0Pa at 25℃
굴절률	1.6419 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	13.44±0.70(Predicted)
색상	흰색에서 황백색까지
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(분배 계수)	2.08 at 23℃ and pH7
EPA	Benzamide, 3-amino-4-methoxy-N-phenyl- (120-35-4)

Gray powder.

GHS 분류	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.
규제 정보	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 등재 상태	TSCA listed
RTECS 번호	CV7400000
독성	mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01183,
관세 코드	2924297099
위험 문구(R)	36/37/38
안전 문구(S)	26-36/37/39
위험 등급	IRRITANT
기존화학 물질	KE-01438

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