1-(2,3-디메틸페닐)피페라진

1-(2,3-Xylyl)piperazine

HCID 70541CAS 1013-22-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(N2CCNCC2)c1C
InChIKey: LIKXJDINUMWKQA-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 1-(2,3-Xylyl)piperazine
IUPAC: 1-(2,3-dimethylphenyl)piperazine
현지명: 1-(2,3-디메틸페닐)피페라진
영어명: 1-(2,3-Dimethylphenyl)piperazine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

1-(2,3-Dimethylphenyl)piperazinePiperazine, 1-(2,3-dimethylphenyl)-1-(2,3-Xylyl)piperazine4J6RHZ6CSAEINECS 213-794-0DTXSID60143826N-(2,3-DIMETHYLPHENYL)PIPERAZINERefChem:73976DTXCID6066317213-794-0LIKXJDINUMWKQA-UHFFFAOYSA-N1013-22-5

이름 더 보기

1-(2,3-디메틸페닐)피페라진AKOS BBS-00003579RARECHEM AH CK 0093TIMTEC-BB SBB0036521-(2,3-DiMethylphenyl)-piperidine2-Methyl-150-nitrobenzyl&chloride1-(2,3-Dimethylphenyl)piperazine,99%1-(2,3-dimethylphenyl)piperazin-4-ium

1-(2,3-Dimethylphenyl)-piperazineMFCD00040730Piperazine, 1-(2,3-xylyl)-(2,3-dimethylphenyl)piperazine1-(2,3-Xylyl)-piperazine; 1-(2,3-Dimethylphenyl)piperazine; 1-(2,3-Xylyl)piperazine; 4-(2,3-Dimethylphenyl)piperazine; N-(2,3-Dimethylphenyl)piperazinePiperazine,1-(2,3-dimethylphenyl)-UNII-4J6RHZ6CSASCHEMBL218837

데이터베이스 식별자

CAS: 1013-22-5
PubChem CID: 70541
DTXSID: DTXSID60143826
ChEMBL: CHEMBL2335161
UNII: 4J6RHZ6CSA
EC Number: 213-794-0
Nikkaji: J217.132E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 175

물리화학적 성질

끓는 점: 95 °C · 95 °C
밀도: 1.031 · 1.031
굴절률: 1.5566 · 1.5566-1.5606
저장 조건: 0 · 0-6°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 점성 액체
산도 계수 (pKa): 9.05 · 9.05±0.10(Predicted)
색상: 맑은 연한 노란색

화학적 성질

clear light yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.