O-(Tetrahydropyran-2-yl)hydroxylamine (HCID 5142091)

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 Å²
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

GHS 분류

GHS Classification · 5건

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.