2-(1,4-Diazepan-1-yl)ethan-1-ol

HCID 2736550CAS 53427-65-9

기본 정보

표준 SMILES: OCCN1CCCNCC1
InChIKey: IXKNVDAHLCFGCV-UHFFFAOYSA-N
분자식: C7H16N2O
평균 분자량: 144.21 g/mol
단동위원소 질량: 144.12626313

이름 및 식별자

우선 이름: 2-(1,4-Diazepan-1-yl)ethan-1-ol
IUPAC: 2-(1,4-diazepan-1-yl)ethanol
영어명: 2-(1,4-Diazepan-1-yl)ethan-1-ol
분자식: C7H16N2O
분자량: 144.21

이름 및 동의어

2-(1,4-diazepan-1-yl)ethan-1-olRefChem:450469690-011-22-(1,4-diazepan-1-yl)ethanol53427-65-9MFCD015658421-(2-Hydroxyethyl)homopiperazine2-(1,4-diazaperhydroepinyl)ethan-1-ol1-homopiperazineethanolSCHEMBL969503SCHEMBL1098861SCHEMBL1448524

이름 더 보기

BUTTPARK 27\08-731-(2-Hydroxyethyl)-1,4-diazepane1H-1,4-Diazepine-1-ethanol, hexahydro-1-(2-Hydroxyethyl)homopiperazine, 2-(1,4-Diazepan-1-yl)ethan-1-ol

SCHEMBL112558532-[1,4]diazepan-1-yl-ethanolDTXSID10371435IXKNVDAHLCFGCV-UHFFFAOYSA-N1-(2-hydroxyethyl)-homopiperazine1-(2-hydroxyethyl)homo-piperazineSBB056234AKOS000138672

데이터베이스 식별자

CAS: 53427-65-9
PubChem CID: 2736550
DTXSID: DTXSID10371435
EC Number: 690-011-2

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.7

물리화학적 성질

끓는 점: 116 · 116-120°C
밀도: 1.1047 g/cm3 · 1.1047 g/cm3
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.98 · 14.98±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.