1-(2,3-디히드로-1,4-벤조디옥신-2-일카르보닐)피페라진염산염

1-(1,4-Benzodioxan-2-ylcarbonyl)piperazine hydrochloride

HCID 2822434

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70918-74-0
표준 SMILES: Cl.O=C(C1COc2ccccc2O1)N1CCNCC1
InChIKey: TUKBWYXLYINULI-UHFFFAOYSA-N
분자식: C13H17ClN2O3
평균 분자량: 284.74 g/mol
단동위원소 질량: 284.09277008

이름 및 식별자

우선 이름: 1-(1,4-Benzodioxan-2-ylcarbonyl)piperazine hydrochloride
IUPAC: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride
현지명: 1-(2,3-디히드로-1,4-벤조디옥신-2-일카르보닐)피페라진염산염
영어명: 1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride
분자식: C13H17ClN2O3
분자량: 284.74

이름 및 동의어

EC 415-660-91-(1,4-benzodioxan-2-ylcarbonyl)piperazine hydrochlorideMethanone, (2,3-dihydro-1,4-benzodioxin-2-yl)-1-piperazinyl-, hydrochloride (1:1)RefChem:419430415-660-970918-74-01-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride2-(1-Piperazinylcarbonyl)-1,4-benzodioxane HydrochlorideN-(1,4-Benzodioxan-2-Carbonyl)Piperazine HydrochlorideMFCD00729051(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochlorideDoxazosin Related Compound A

이름 더 보기

1-(2,3-디히드로-1,4-벤조디옥신-2-일카르보닐)피페라진염산염TIMTEC-BB SBB003004Doxazosin iMpurity BDoxazosin EP Impurity B(HCl)Doxazosin mesylate impurity B1-[(2RS)-2,3-Dihydro-1,4-benzodioxiDoxazosin EP Impurity B HydrochlorideDoxazosin EP Impurity B monohydrochloride

n-(1,4-benzodioxan-2-carbonyl)-piperazine hydrochlorideDoxazosin EP Impurity B2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-PIPERAZIN-1-YL-METHANONE HCLn-(1,4-benzodioxan-2-carbonyl)piperazinehydrochloride(2,3-Dihydrobenzo[1,4]dioxin-2-yl)piperazin-1-yl-methanone hydrochloride1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine Monohydrochloride2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-4-ium-1-yl)methanone;chloride

데이터베이스 식별자

CAS: 70918-74-0
PubChem CID: 2822434
DTXSID: DTXSID00384918
UNII: SK3FQQ8W9N
EC Number: 415-660-9、673-692-0

물성

구조 계산 물성

극성 표면적: 50.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 305

물리화학적 성질

녹는점: 105 · 105-108°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
안정성: 흡습성
주요 응용: 제약
InChI: InChI=1S/C13H16N2O3.ClH/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12;/h1-4,12,14H,5-9H2;1H
InChIKey: TUKBWYXLYINULI-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1OCC(C(=O)N1CCNCC1)O2.Cl

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301+H311+H331 (97.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationREACH registered substance: 1-(1,4-benzodioxan-2-ylcarbonyl)piperazine hydrochloride (EC: 415-660-9)

Hazard Classes and Categories · 4건

Acute Tox. 3 (100%)

Acute Tox. 3 (97.4%)

Acute toxicity - category 3

Acute Tox. 3 *

안전 데이터

wgk: WGK 3
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
HS 번호: 2934990002
risk_code: 23/24/25-48/22-51/53
hazard_code: T;N,Xi,N,T
safety_code: 45-53-61
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2 Oral
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

상·하류 제품 정보

상류 원료

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