O-(Tetrahydropyran-2-yl)hydroxylamine
기본 정보
- CAS
6723-30-4- 표준 SMILES
NOC1CCCCO1- InChIKey
NLXXVSKHVGDQAT-UHFFFAOYSA-N- 분자식
- C5H11NO2
- 평균 분자량
- 117.15 g/mol
- 단동위원소 질량
- 117.07897859
이름 및 식별자
- 우선 이름
- O-(Tetrahydropyran-2-yl)hydroxylamine
- IUPAC
- O-(oxan-2-yl)hydroxylamine
- 영어명
- O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine
- 분자식
- C5H11NO2
- 분자량
- 117.15
이름 및 동의어
O-(Tetrahydropyran-2-yl)hydroxylamineRefChem:855179628-109-46723-30-4O-(Tetrahydro-2H-pyran-2-yl)hydroxylamineO-(oxan-2-yl)hydroxylamineO-(Tetrahydropyran-2-yl)-hydroxylamine2-(Aminooxy)tetrahydro-2H-pyranO-Tertrahydroxy-Pyran-2-yl-HydroxylamineMFCD01321374O-tetrahydropyran-2-ylhydroxylamineO-(Tetrahydro-pyran-2-yl)-hydroxylamine
이름 더 보기
)-hydroxyLO-(Tetrahydropyran-2-yLO-2-tetrahydro-2H-pyranhydroxylamineO-(2H-Tetrahydropyran-2-yl)hydroxylamineO-(tetrahydro-2H-pyran-2-yl)hydroxyamine
O-tetrahydropyranyl hydroxylamine2-(aminooxy)tetrahydro-2H-pyraneO-(TERTRAHYDROXY-PYRAN-2-YL)-HYDROXYLAMINEO-(2-tetrahydropyranyl)-hydroxylamineAC-4405O-(tetrahydro-2H-pyran-2-yl)-hydroxylamineHydroxylamine, O-(tetrahydro-2H-pyran-2-yl)-2-(Aminoxy)tetrahydropyran; 2-Tetrahydropyranyloxyamine; O-(Tetrahydropyran-2-yl)hydroxylamine; O-Tetrahydropyranylhydroxylamine; [(Tetrahydro-2H-pyranyl-2-yl)oxy]amine
데이터베이스 식별자
- CAS
6723-30-4- PubChem CID
- 5142091
- DTXSID
DTXSID50408719- ChEMBL
CHEMBL1213808- EC Number
- 628-109-4
- Nikkaji
- J1.564.419B
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 44.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 67.4
물리화학적 성질
- 녹는점
- 34 · 34-37 °C (lit.)
- 끓는 점
- 81 °C/20 · 81 °C/20 mmHg (lit.)
- 밀도
- 1.1274 · 1.1274 (rough estimate)
- 굴절률
- 1.4206 · 1.4206 (estimate)
- 인화점
- 180 °F · 180 °F
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.28 · 3.28±0.20(Predicted)
- 물리적 상태
- 저융점 고체
- 색상
- 하얀색
- InChI
- InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2
- InChIKey
- NLXXVSKHVGDQAT-UHFFFAOYSA-N
- SMILES
- NOC1OCCCC1
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 12.2% (6 of 49) of reports.
Warning
H315 (87.8%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (87.8%)
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine is used as an oximation reagent in the synthesis of a marine alkaloid which shows significant inhibitory activity against mycothiol S-conjugate amidase.
일반 설명O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine (OTX) is an O-substituted hydroxylamine. The coupling of OTX with alkaline gel electrophoresis has been reported to improve the process of detecting single strand breaks (SSBs) in DNA.
상·하류 제품 정보
상류 원료
관련 반응
370건
화합물 노트
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