1-테트라하이드로푸르푸릴-피페라진

1-(Tetrahydro-2-furylmethyl)piperazine

HCID 2737265

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 82500-35-4
표준 SMILES: C1COC(CN2CCNCC2)C1
InChIKey: GKBPGHNDWVURBD-UHFFFAOYSA-N
분자식: C9H18N2O
평균 분자량: 170.25 g/mol
단동위원소 질량: 170.1419132

이름 및 식별자

우선 이름: 1-(Tetrahydro-2-furylmethyl)piperazine
IUPAC: 1-(oxolan-2-ylmethyl)piperazine
현지명: 1-테트라하이드로푸르푸릴-피페라진
영어명: 1-TETRAHYDROFURFURYL-PIPERAZINE
분자식: C9H18N2O
분자량: 170.25

이름 및 동의어

1-(Tetrahydro-2-furylmethyl)piperazineRefChem:428725625-064-282500-35-41-Tetrahydrofurfuryl-piperazine1-((Tetrahydrofuran-2-yl)methyl)piperazine1-(oxolan-2-ylmethyl)piperazine1-(tetrahydrofurfuryl)piperazine1-[(oxolan-2-yl)methyl]piperazineMFCD020935581-(tetrahydrofuran-2-ylmethyl)piperazine1-(Tetrahydro-furan-2-ylmethyl)-piperazine

이름 더 보기

1-테트라하이드로푸르푸릴-피페라진AKOS BBS-00006771TIMTEC-BB SBB010068RARECHEM AH CK 0198ASINEX-REAG BAS 040854301-(2-oxolanylmethyl)piperazine2-(PIPERAZINOMETHYL)TETRAHYDROFURAN1-Tetrahydrofurfuryl-piperazine ,98%1- (Tetrahydroxyfurfuryl) piperazine

SCHEMBL487732DTXSID10371955TS-023171-[(Tetrahydrofuran-2-yl)methyl]piperazine2-(piperazinylmethyl)oxolane1-tetrahydrofurfurylpiperazine1-tetrahydrofSCHEMBL1034902

데이터베이스 식별자

CAS: 82500-35-4
PubChem CID: 2737265
DTXSID: DTXSID10371955
ChEMBL: CHEMBL4525170
EC Number: 625-064-2
Nikkaji: J1.974.585F

물성

구조 계산 물성

XLogP: 0
극성 표면적: 24.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 115 · 115-117℃
끓는 점: 143 · 143-148°C 3mm
밀도: 1.02 g/ml · 1.02g/ml
굴절률: 20 · n20/D 1.495
저장 조건: 2 · 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 9.15 · 9.15±0.10(Predicted)
BRN: 8833501 · 8833501
InChI: 1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKey: GKBPGHNDWVURBD-UHFFFAOYSA-N
SMILES: C1COC(C1)CN2CCNCC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.