Dibenamine hydrochloride
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기본 정보
- CAS
55-43-6- 표준 SMILES
Cl.ClCCN(Cc1ccccc1)Cc1ccccc1- InChIKey
LZXCEBPGNFLHEQ-UHFFFAOYSA-N- 분자식
- C16H19Cl2N
- 평균 분자량
- 296.2 g/mol
- 단동위원소 질량
- 295.089455
이름 및 식별자
- 우선 이름
- Dibenamine hydrochloride
- IUPAC
- N,N-dibenzyl-2-chloroethanamine;hydrochloride
- 영어명
- N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE
- 분자식
- C16H19Cl2N
- 분자량
- 296.23
이름 및 동의어
55-43-6Dibenamine hydrochlorideN-(2-Chloroethyl)dibenzylamine hydrochlorideDibenamine HClDibenzylchlorethamine hydrochlorideN,N-Dibenzyl-2-chloroethylamine hydrochlorideN,N-Dibenzylaminoethyl chloride hydrochlorideDibenzylchlorethylamine hydrochloride2-Chloroethyldibenzylamine hydrochlorideDibenzyl(2-chloroethyl)ammonium chloride2-Dibenzylaminoethyl chloride hydrochlorideEINECS 200-234-5
이름 더 보기
Sympatholytin hydrochlorideN-(2-CHLOROETHYL)DIBENZYLAMINE HCLn,n-dibenzyl-2-chloroethylamineHCldibenzylchlorethylaminehydrochlorideDibenamine hydrochloride, 10 mM in DMSOn-(2-chloroethyl)-dibenzylaminhydrochlorideN,N-DIBENZYLAMINOETHYLCHLORIDE HYDROCHLORIDE
NSC 11491beta-Chloroethyldibenzylamine hydrochlorideBenzenemethanamine, N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochlorideDIBENZYLAMINE, N-(2-CHLOROETHYL)-, HYDROCHLORIDEN,N-Dibenzyl-beta-chloroethylamine hydrochlorideNSC-11491W65S0F7870(2-Chloroethyl)dibenzylamine hydrochloride
데이터베이스 식별자
- CAS
55-43-6- PubChem CID
- 5925
- DTXSID
DTXSID3075337- ChEMBL
CHEMBL3272451- UNII
- W65S0F7870
- EC Number
- 200-234-5
물성
구조 계산 물성보충 중
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 187
물리화학적 성질
- 녹는점
- 190 · 190-193 °C(lit.)
- 끓는 점
- 449.72 °C · 449.72°C (rough estimate)
- 밀도
- 1.1507 · 1.1507 (rough estimate)
- 굴절률
- 1.63 · 1.6300 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- almost transparency in Methanol
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- Merck
- 14 · 14,2138
- InChI
- 1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
- InChIKey
- LZXCEBPGNFLHEQ-UHFFFAOYSA-N
- SMILES
- Cl.ClCCN(Cc1ccccc1)Cc2ccccc2
- EPA
- N-(2-Chloroethyl)dibenzylamine hydrochloride (55-43-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- HQ6825000
- 독성
- LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi)
- HS 번호
- 29214900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Sympatholytin was used as 5-Hydroxytryptamine antagonists in this study.Sympatholytin preferentially blocked postsynaptic alpha receptors.
일반 설명N-(2-Chloroethyl)dibenzylamine hydrochloride is also referred as dibenamine. Mechanism of protection against carbon tetrachloride-induced hepatotoxicity produced by pretreatment with [N-(2-chloroethyl) dibenzylamine] hydrochloride has been investigated. It is a powerful adrenergic blocking agent, is known to modify the pharmacological effects of epinephrine.
관련 반응
5건
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