1-[(Pyridin-2-yl)methyl]piperazine

HCID 808714CAS 55579-01-6

기본 정보

표준 SMILES: c1ccc(CN2CCNCC2)nc1
InChIKey: NATRYEXANYVWAW-UHFFFAOYSA-N
분자식: C10H15N3
평균 분자량: 177.25 g/mol
단동위원소 질량: 177.12659748

이름 및 식별자

우선 이름: 1-[(Pyridin-2-yl)methyl]piperazine
IUPAC: 1-(pyridin-2-ylmethyl)piperazine
영어명: 1-PYRIDIN-2-YLMETHYL-PIPERAZINE
분자식: C10H15N3
분자량: 177.25

이름 및 동의어

1-[(pyridin-2-yl)methyl]piperazine1-((pyridin-2-yl)methyl)piperazineRefChem:418896671-473-455579-01-61-(pyridin-2-ylmethyl)piperazine1-[(2-Pyridyl)methyl]piperazine1-Pyridin-2-ylmethyl-piperazine(2-Pyridylmethyl)piperazine1-(2-pyridylmethyl)piperazineMFCD018625511-(pyridin-2-yl-methyl)-piperazine

이름 더 보기

AKOS B004020BUTTPARK 36\08-66CHEMBRDG-BB 4101647ART-CHEM-BB B004020RARECHEM AH CK 0190TIMTEC-BB SBB003771

1-((2-Pyridyl)methyl)piperazineF2158-0091PIPERAZINE, 1-(2-PYRIDINYLMETHYL)-2-pyridylmethyl piperazineOprea1_154966Oprea1_366166SCHEMBL209471SCHEMBL1366172

데이터베이스 식별자

CAS: 55579-01-6
PubChem CID: 808714
DTXSID: DTXSID60355604
ChEMBL: CHEMBL1621936
EC Number: 671-473-4

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 143

물리화학적 성질

끓는 점: 91 · 91-93°C 0,4mm
밀도: 1.073 · 1.073±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 9 · 9.00±0.10(Predicted)
색상: 무색~담황색
InChI: InChI=1S/C10H15N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h1-4,11H,5-9H2
InChIKey: NATRYEXANYVWAW-UHFFFAOYSA-N
SMILES: N1(CC2=NC=CC=C2)CCNCC1

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.