2-Morpholinoethanol (HCID 61163)

개요

2-(morpholin-4-yl)ethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a member of morpholines and a tertiary amino compound.

이름 및 식별자

우선 이름: 2-Morpholinoethanol
IUPAC: 2-morpholin-4-ylethanol
현지명: 하이드록시에틸모르폴린
영어명: 2-Morpholinoethanol
분자식: C6H13NO2
분자량: 131.17

이름 및 동의어

2-Morpholinoethanol622-40-24-(2-Hydroxyethyl)morpholine4-MORPHOLINEETHANOLN-(2-Hydroxyethyl)morpholine2-morpholin-4-ylethanolMorpholineethanol2-(morpholin-4-yl)ethanolEthanol, 2-morpholino-2-(Morpholin-4-Yl)Ethan-1-Olbeta-MorpholinoethanolEthanol, 2-(morpholinyl)-

이름 더 보기

4-(2-하이드록시에틸)모폴린4-(2-하이드록시에틸)모르폴린하이드록시에틸모르폴린2-모르폴리노에탄올2-Morpholinoethan-1-ol2-MORPHOLIN-4-YL-ETHANOLAKOS MSC-0730MORPHOLINOETHANOLAKOS BBS-00004369Morpholine ethanol

.beta.-Morpholinoethanolbeta-Oxyaethyl-morpholin [German]N-(2-Hydroxyethyl)morfolinNSC 1946beta-Oxyaethyl-morpholin2-(4-Morpholinyl)-1-ethanolDTXSID2022090UNII-LY5IL94D3K

데이터베이스 식별자

CAS: 622-40-2
PubChem CID: 61163
DTXSID: DTXSID2022090
ChEMBL: CHEMBL1821739
ChEBI: CHEBI:67144
UNII: LY5IL94D3K
EC Number: 210-734-5
Nikkaji: J24.530E

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 71.5

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

DrugsPharmaceuticals -> Metabolite of Mycophenolate mofetil

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionLiquid

Collision Cross Section125.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022090]

물리화학적 성질

녹는점: -1 °C · -1 °C
끓는 점: 227 °C757 · 227 °C757 mm Hg(lit.)
밀도: 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
증기압: 2.44 · 2.44-7Pa at 20-25℃
굴절률: 20 · n20/D 1.476(lit.)
인화점: 211 °F · 211 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 14.88 · 14.88±0.10(Predicted)
색상: 무색~황색으로 투명함
수소이온지수(pH): 10.7 · 10.7 (100g/l, H2O, 20℃)
폭발한계: 1.5 · 1.5-9.8%(V)
수용성: 혼용 가능
BRN: 104375 · 104375
Henry's Law Constant: 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
InChIKey: KKFDCBRMNNSAAW-UHFFFAOYSA-N
SMILES: OCCN1CCOCC1
LogP: -1.32 at · -1.32 at 25℃
NIST: 4 · 4-Morpholineethanol(622-40-2)
EPA: 4 · 4-Morpholineethanol (622-40-2)

화학적 성질

2-Morpholinoethanol is a transparent colorless to yellow liquid. It is used as an organic chemical synthesis intermediate.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.1% (16 of 225) of reports.

Warning

H315 (44%): 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 225 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 4-Morpholineethanol

4-Morpholineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Morpholineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 22-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/9993

4-Morpholineethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (44%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: QE3510000
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
기존화학 물질: KE-20532
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Tissue LocationsKidney

Cellular LocationsCytoplasm

Metabolite PathwaysMycophenolic Acid Metabolism Pathway

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesCatalyst

General Manufacturing Information · 2건

Plastics Product Manufacturing

4-Morpholineethanol: ACTIVE

응용 분야

용도4-(2-Hydroxyethyl)morpholine is a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary cu lture/DNA.

상·하류 제품 정보

상류 원료

하류 제품

4-(2-클로로에틸)몰포린 염산 Mycophenolate mofetil 4-(2-클로로에틸)모르폴린 2-N-MORPHOLINOETHYL아크릴레이트 4-[2-(2-NITROPHENOXY)에틸]모폴린 4-Morpholineethanamine, N-2-pyridinyl-2-N-모르포리노에틸메타크릴레이트 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate hydrochloride

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: 2-Morpholinoethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a tertiary amino compound and a member of morpholines.

연결된 노트

불러오는 중…

하이드록시에틸모르폴린

기본 정보

개요