피페라진,1-[2-(4-피리디닐)에틸]-(9CI)

1-[2-(4-Pyridinyl)ethyl]piperazine

HCID 558685CAS 53345-16-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1cc(CCN2CCNCC2)ccn1
InChIKey: PXJMEKXBONLMNG-UHFFFAOYSA-N
분자식: C11H17N3
평균 분자량: 191.27 g/mol
단동위원소 질량: 191.14224756

이름 및 식별자

우선 이름: 1-[2-(4-Pyridinyl)ethyl]piperazine
IUPAC: 1-(2-pyridin-4-ylethyl)piperazine
현지명: 피페라진,1-[2-(4-피리디닐)에틸]-(9CI)
영어명: Piperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)
분자식: C11H17N3
분자량: 191.27

이름 및 동의어

53345-16-71-[2-(4-Pyridinyl)ethyl]piperazine1-(2-(4-Pyridinyl)ethyl)piperazineRefChem:2230561-[2-(pyridin-4-yl)ethyl]piperazine1-(2-pyridin-4-ylethyl)piperazine1-(2-(Pyridin-4-yl)ethyl)piperazine1-(2-Pyridin-4-yl-ethyl)-piperazineMFCD030945841-(2-(4-pyridylethyl))piperazine1-[2-(4-pyridyl)ethyl]piperazinePiperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)

이름 더 보기

피페라진,1-[2-(4-피리디닐)에틸]-(9CI)4-[2-(Piperazin-1-yl)ethyl]pyridinePiperazine, 1-[2-(4-pyridinyl)ethyl]-1-[2-(Pyridin-4-yl)ethyl]piperazine97%

1-(2-Pyridin-4-yl-ethyl)piperazine(2-(4-pyridyl)ethyl)piperazine1-[2-(4-pyridylethyl)]piperazine1-(2-(4-Pyridylethyl))-PiperazineSCHEMBL1935424SCHEMBL4576469DTXSID301296437ALBB-005748

데이터베이스 식별자

CAS: 53345-16-7
PubChem CID: 558685
DTXSID: DTXSID301296437
EC Number: 673-689-4

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 323.9 · 323.9±27.0 °C(Predicted)
밀도: 1.033 · 1.033±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.16 · 9.16±0.10(Predicted)

화학적 성질

White to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.