1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)

4-DiMethylaMineaniline, HCl · N,N-DIMETHYL-P-PHENYLENEDIAMINE MONO · 4-dimethylamineaniline hydrochloride · N1,N1-dimethylbenzene-1,4-diamine HCl · N,N-Dimethyl-1,4-Phenylene Diamine HCL · P-AMINODIMETHYLANILINE MONOHYDROCHLORIDE · N,N-DIMETHYL-P-PHENYLENEDIAMINE HCL (MONO) · P-[DIMETHYLAMINO]ANILINE MONOHYDROCHLORIDE

https://huagongshe.com/ko/chemical/7736

1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1) 분자 구조식

식별자 및 물리적 특성

CAS No.	13806-04-7
분자식	C8H13ClN2
평균 분자량	172.65 g/mol
단동위원소 질량	172.0767261 g/mol
SMILES	CN(C)c1ccc(N)cc1.Cl
InChIKey	KTWNIUBGGFBRKH-UHFFFAOYSA-N
PubChem CID	7736
EC No.	218-146-0
DTXSID	DTXSID50883789

화학 및 물리적 성질

극성 표면적	29.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	93.4
물질 분류	Nitrogen Compounds -> Amines, Aromatic
Physical Description	Grey crystalline solidHygroscopic[Sigma-Aldrich MSDS]
녹는점	215 °C (dec.)(lit.)
저장 조건	-20°C
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
물리적 상태	고체
색상	회색에서 검정색으로
BRN	4546912
안정성	흡습성
InChI	1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H31H
InChIKey	KTWNIUBGGFBRKH-UHFFFAOYSA-N
SMILES	Cl[H].CN(C)c1ccc(N)cc1
EPA	1,4-Benzenediamine, N,N-dimethyl-, monohydrochloride (2052-46-2)

화학적 성질

brown-black to black crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P321, P330, P342+P316, P361+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	Causes tremor, convulsions, and somnolence oral lethal-dose studies of rodents[RTECS] May cause irritation and respiratory sensitizationMay induce methemoglobinemiaHighly toxic by ingestion and inhalationToxic by skin absorption[Sigma-Aldrich MSDS] See N,N-Dimethyl-p-benzenediamine.
Hazard Classes and Categories	Acute Tox. 2 (97.6%)
유해 작용	Neurotoxin - Other CNS neurotoxin
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	ST1750000
운송 번호(UN)	UN 2811 6.1/PG 2
관세 코드	2921490090
위험 문구(R)	23/24/25-43
위험 표시	T
안전 문구(S)	36/37-45
포장분류	II
위험 등급	6.1(a)Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationResp. Sens. 1
F 고인화성물질	3-8-10
저장 분류	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

용도

4-Dimethylamineaniline, HCl. Dyes and metabolites. 4-Dimethylamineaniline Hydrochloride can be used to treat tauopathies.