1-(2-티아졸릴)피페라진

1-(Thiazol-2-yl)piperazine

HCID 911806CAS 42270-37-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1csc(N2CCNCC2)n1
InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYSA-N
분자식: C7H11N3S
평균 분자량: 169.25 g/mol
단동위원소 질량: 169.06736835

이름 및 식별자

우선 이름: 1-(Thiazol-2-yl)piperazine
IUPAC: 2-piperazin-1-yl-1,3-thiazole
현지명: 1-(2-티아졸릴)피페라진
영어명: 1-(2-Thiazolyl)piperazine
분자식: C7H11N3S
분자량: 169.25

이름 및 동의어

42270-37-11-(2-thiazolyl)piperazine1-(Thiazol-2-yl)piperazineEINECS 255-743-5DTXSID40195101RefChem:428738DTXCID10117592255-743-52-(Piperazin-1-yl)thiazole1-Thiazol-2-yl-piperazine1-(1,3-thiazol-2-yl)piperazine2-piperazin-1-yl-1,3-thiazole

이름 더 보기

1-(2-티아졸릴)피페라진2-(1-Piperazinyl)thiazole1-THIAZOL-2-YL-PIPERAZINE >98%2-(Piperazin-1-yl)-1,3-thiazolePiperazine, 1-(2-thiazolyl)- (9CI)

1-Thiazole-2-yl-piperazineMFCD00778419SCHEMBL50881-thiazole-2-yl-piperizine1-(2-thiazolyl)-piperazineSTL5632251-thiazol-2-yl-piperazine, AldrichCPRpiperazine, 1-(2-thiazolyl)-

데이터베이스 식별자

CAS: 42270-37-1
PubChem CID: 911806
DTXSID: DTXSID40195101
UNII: JNH3UA8XDC
EC Number: 255-743-5
Nikkaji: J278.373H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 56.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

LogP0.61

물리화학적 성질

끓는 점: 96 °C · 96 °C
밀도: 1.205 · 1.205±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 8.4 · 8.40±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
InChI: 1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYSA-N
SMILES: C1CN(CCN1)c2nccs2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.