1-카르복시-1-메틸에톡시암모늄클로라이드
2-(Aminooxy)-2-methylpropionic acid hydrochloride
기본 정보
- CAS
89766-91-6- 표준 SMILES
CC(C)(ON)C(=O)O.Cl- InChIKey
ZJPZGAAOCIFBDI-UHFFFAOYSA-N- 분자식
- C4H10ClNO3
- 평균 분자량
- 155.58 g/mol
- 단동위원소 질량
- 155.0349209
이름 및 식별자
- 우선 이름
- 2-(Aminooxy)-2-methylpropionic acid hydrochloride
- IUPAC
- 2-aminooxy-2-methylpropanoic acid;hydrochloride
- 현지명
- 1-카르복시-1-메틸에톡시암모늄클로라이드
- 영어명
- 1-Carboxy-1-methylethoxyammonium chloride
- 분자식
- C4H10ClNO3
- 분자량
- 155.58
이름 및 동의어
RefChem:459624289-523-52-(Aminooxy)-2-methylpropionic acid HCl2-(aminooxy)-2-methylpropionic acid hydrochlorideEINECS 289-523-589766-91-62-(Aminooxy)-2-methylpropanoic acid hydrochloride1-Carboxy-1-methylethoxyammonium chlorideMFCD080639112-Aminoxy-2-methylpropionic acid hydrochloride2-aminooxy-2-methylpropanoic acid;hydrochloride1-Carboxy-1-methylethoxyammonium Hydrochloride
이름 더 보기
1-카르복시-1-메틸에톡시암모늄클로라이드AOIBAZhu-Yu Auxiliary2-AMinooxy-2-Methylpropanoic A2-(AMINOOXY)-2-METHYL-,HYDROCHLORIDE2-(aminooxy)-2-methylpropanoic acid HCl2-carboxypropan-2-yloxyammonium chloride1-CARBOXYL-1-METHYLETHOXYAMMONIUM CHLORIDE2-AMINOOXY-2-METHYLPROPANOIC ACID HYDROCHLORIDE
AOIBA:2-Aminooxy-2-methylpropanoic acid hydrochloride2-(Aminooxy)-2-methylpropanoic Acid Hydrochloride;LU89UB5TYXSCHEMBL1357339ZJPZGAAOCIFBDI-UHFFFAOYSA-NDTXSID201008964AKOS015892682AC-5592
데이터베이스 식별자
- CAS
89766-91-6- PubChem CID
- 5744062
- DTXSID
DTXSID201008964- UNII
- LU89UB5TYX
- EC Number
- 289-523-5
물성
구조 계산 물성
- 극성 표면적
- 72.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 99.5
물리화학적 성질
- 녹는점
- 164 · 164-166 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- InChI=1S/C4H9NO3.ClH/c1-4(2,8-5)3(6)7;/h5H2,1-2H3,(H,6,7);1H
- InChIKey
- ZJPZGAAOCIFBDI-UHFFFAOYSA-N
- SMILES
- C(C)(C)(ON)C(O)=O.Cl
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 5.6% (1 of 18) of reports.
Warning
H315 (94.4%): 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 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 2-(aminooxy)-2-methylpropionic acid hydrochloride (EC: 289-523-5)
Hazard Classes and CategoriesSkin Irrit. 2 (94.4%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Self-react. C
- 스토리지 클래스
- 5.2 - Organic peroxides and self-reacting hazardous materials
화학 및 산업
응용 분야
용도1-Carboxy-1-methylethoxyammonium Hydrochloride is used as a reactant in the synthesis of carbon-11 labeled celecoxib derivatives as new candidate PET radioligands for imaging of inflammation.
관련 반응
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