기본 정보
- CAS
91-79-2- 표준 SMILES
CN(C)CCN(Cc1ccsc1)c1ccccn1- InChIKey
RCGYDFVCAAKKNG-UHFFFAOYSA-N- 분자식
- C14H19N3S
- 평균 분자량
- 261.39 g/mol
- 단동위원소 질량
- 261.12996879
개요
Thenyldiamine is a dialkylarylamine and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- Thenyldiamine
- IUPAC
- N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
- 현지명
- 테닐디아민
- 영어명
- thenyldiamine
- 분자식
- C14H19N3S
- 분자량
- 261.39
이름 및 동의어
THENYLDIAMINETenfidilThefanilThenfadil91-79-2DethylandiamineTenildiaminaThenyldiaminumNCI-C60640WIN-2848DTXSID00213352-((2-Dimethylaminoethyl)-3-thenylamino)pyridine
이름 더 보기
테닐디아민thenyldiamine USP/EP/BPThenyldiamine Hydrochloride (Thenfadil)N,N-dimethyl-N-2-pyridyl-N-3-thenylethylenediamine2-dimethylaminoethyl-(2-pyridyl)-(3-thienylmethyl)amineN,N-Dimethyl-N'-(2-pyridinyl)-N'-(3-thienylmethyl)-1,2-ethanediamine
2-((2-(Dimethylamino)ethyl)-3-thenylamino)pyridineN-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-E4U52363JEPyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-DTXCID601335N-(alpha-Pyridyl)-N-(beta-thenyl)-N',N'-dimethylethylenediamineN,N-Dimethyl-N'-(alpha-pyridyl)-N'-(3-methylthienyl)ethylenediamine
데이터베이스 식별자
- CAS
91-79-2- PubChem CID
- 7066
- DTXSID
DTXSID0021335- ChEMBL
CHEMBL2107485
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 235
실험 및 물리화학적 성질
Color/FormLIQUID
Boiling Point169-172 °C @ 1.0 MM HG
Refractive IndexINDEX OF REFRACTION: 1.5915 @ 20 °C/D
Other Experimental PropertiesBITTER TASTE; PH OF 1% AQ SOLN 6.5; MELTING POINT: 169.5-170 °C; CRYSTALS FROM METHANOL; SOL IN WATER UP TO 20%; SLIGHTLY SOL IN ALC /HYDROCHLORIDE/
물리화학적 성질
- 끓는 점
- 1 · bp1.0 169-172°
- 밀도
- 1.1388 · 1.1388 (rough estimate)
- 굴절률
- 20 · nD20 1.5915
- 산도 계수 (pKa)
- 3.94 · pKa 3.94(H2O t=25 c=0.002 to 0.01) (Uncertain);8.93 (Uncertain)
- 수용성
- 4.444 g/L · 4.444g/L(37.5℃)
화학적 성질
Liquid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Human Toxicity ExcerptsGASTROINTESTINAL SIDE EFFECTS ARE QUITE COMMON. /ETHYLENEDIAMINES/
안전 데이터
- 유해 물질 데이터
- 91-79-2(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolite PathwaysThenyldiamine H1-Antihistamine Action
용도 및 제조
UsesMEDICATION
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) 5.0X10+4 G-PRINCPL CUSTMS DISTS-AS HCL
(1979) 5.0X10+4 G-PRINCPL CUSTMS DISTS-AS HCL
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumption PatternsESSENTIALLY 100% AS AN ANTIHISTAMINIC AGENT (AS HYDROCHLORIDE)
Methods of Manufacturing
CONDENSATION OF N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-THENYL BROMIDE
PREPARED BY CONDENSING N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-PHENYL BROMIDE...
Formulations/PreparationsTHENYLDIAMINE CHLORIDE, THENYLDIAMINE HYDROCHLORIDE
응용 분야
용도Medicine (as base for various salts, especially the hydrochloride).
상·하류 제품 정보
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