피페라진,1-(3-메틸-2-피리디닐)-(9CI)

1-(3-Methyl-2-pyridinyl)piperazine

HCID 2760057CAS 104396-10-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccnc1N1CCNCC1
InChIKey: VVBVRZMTWMATNG-UHFFFAOYSA-N
분자식: C10H15N3
평균 분자량: 177.25 g/mol
단동위원소 질량: 177.12659748

이름 및 식별자

우선 이름: 1-(3-Methyl-2-pyridinyl)piperazine
IUPAC: 1-(3-methyl-2-pyridinyl)piperazine
현지명: 피페라진,1-(3-메틸-2-피리디닐)-(9CI)
영어명: Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)
분자식: C10H15N3
분자량: 177.25

이름 및 동의어

104396-10-31-(3-methyl-2-pyridinyl)piperazineRefChem:424017812-316-31-(3-methylpyridin-2-yl)piperazine111960-11-31-(3-Methyl-pyridin-2-yl)-piperazineMFCD03412117Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)Piperazine, 1-(3-methyl-2-pyridinyl)-1-(3-Methyl-2-pyridyl)-(6CI)piperazine; 1-(3-Methylpyridin-2-yl)piperazine;1-(3-methylpyridin-2-yl)-piperazine

이름 더 보기

피페라진,1-(3-메틸-2-피리디닐)-(9CI)1-(3-Methylpyridin-2-yl)3-Methyl-2-(piperazin-1-yl)pyridine1-(3-Methyl-pyridin-2-yl)-piperazin1-(3-Methyl-2-pyridinyl)piperazine 3HCl1-(3-methylpyridin-2-yl)piperazine trihydrochloride1-(3-Methyl-2-pyridinyl)piperazine trihydrochloride1-(3-methylpyridin-2-yl)piperazine(SALTDATA: 0.12H2O)

SCHEMBL615931CHEMBL4587124DTXSID90920622VVBVRZMTWMATNG-UHFFFAOYSA-N1-(3-methyl-2-pyridyl)piperazineEEA39610GS07661-(3-methyl-pyridin-2-yl)piperazine

데이터베이스 식별자

CAS: 104396-10-3、111960-11-3
PubChem CID: 2760057
DTXSID: DTXSID90920622
ChEMBL: CHEMBL4587124
EC Number: 673-025-3、812-316-3

물성

구조 계산 물성

XLogP: 1
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 328.6 · 328.6±37.0 °C(Predicted)
밀도: 1.059 · 1.059±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 8.71 · 8.71±0.29(Predicted)
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]