(2R)-1-morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one

HCID 10977653

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135270-08-5
표준 SMILES: C[C@@H](OC1CCCCO1)C(=O)N1CCOCC1
InChIKey: ANFZGSBFEPFDNR-NFJWQWPMSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.14705815

이름 및 식별자

우선 이름: (2R)-1-morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one
IUPAC: (2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
영어명: 4-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yloxy)-propionyl]morpholine
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

(2R)-1-Morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one4-[(2R)-1-Oxo-2-[(tetrahydro-2H-pyran-2-yl)oxy]propyl]morpholine4-((2R)-1-Oxo-2-((tetrahydro-2H-pyran-2-yl)oxy)propyl)morpholineRefChem:396867819-998-1135270-08-5(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-oneSCHEMBL4909056ANFZGSBFEPFDNR-NFJWQWPMSA-NDTXSID701170835(2R)-1-Morpholino-2-(tetrahydro-2h-pyran-2-yloxy)propan-1-oneMFCD20271359

이름 더 보기

Efluconazole impurity 34Efinaconazole Impurity 7(Mixture of Diastereomers)Efinaconazole Impurity 25 (Mixture of Diastereomers)Morpholine, 4-[(2R)-1-oxo-2-[(tetrahydro-2H-pyran-2-yl)oxy]p...Morpholine, 4-[(2R)-1-oxo-2-[(tetrahydro-2H-pyran-2-yl)oxy]propyl]-4-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yloxy)-propionyl]morpholine4- [(2R) -1-oxo-2- [(tetrahydro-2H-pyran-2-yl) oxy] propyl] morpholine(2R)-1-MORPHOLINO-2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PROPAN-1-ONE(WXG00767)

SY348593CS-0445174(2R)-1-(Morpholin-4-yl)-2-[(oxan-2-yl)oxy]propan-1-one1-Morpholin-4-yl-2-(tetrahydro-pyran-2-yloxy)-propan-1-one(2R)-1-Morpholino-2-[(tetrahydro-2H-pyran-2-yl)oxy]-1-propanone4-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yloxy) propionyl]morpholine4-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yloxy)propionyl] morpholine4-[(2R)-2-(3,4,5,6-tetrahydro-2H-pyran-2-yloxy)propionyl]morpholine

데이터베이스 식별자

CAS: 135270-08-5
PubChem CID: 10977653
DTXSID: DTXSID701170835
EC Number: 819-998-1

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 48 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 253

물리화학적 성질

끓는 점: 400.4 · 400.4±45.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
산도 계수 (pKa): -1.11 · -1.11±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22072

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory InformationStatus: Active Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22072

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도(2R)-1-Morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one is useful in the synthesis of (2R,3R)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol, an antifungal agent.