기본 정보
- CAS
333-31-3- 표준 SMILES
CC(=O)OC(C)C[N+](C)(C)C.[Br-]- InChIKey
MMVPLEUBMWUYIB-UHFFFAOYSA-M- 분자식
- C8H18BrNO2
- 평균 분자량
- 240.14 g/mol
- 단동위원소 질량
- 239.05209
이름 및 식별자
- 우선 이름
- Methacholine bromide
- IUPAC
- 2-acetyloxypropyl(trimethyl)azanium bromide
- 현지명
- 메타콜린
- 영어명
- METHACHOLINE BROMIDE
- 분자식
- C8H18BrNO2
- 분자량
- 240.14
이름 및 동의어
Methacholine bromideMecholyl BromideMethacholini bromidum1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromideMethacholine bromide [NF]2-Acetoxypropyltrimethylammonium bromidUNII-M73AI9718DM73AI9718DEINECS 206-372-21-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (1:1)DTXSID90883364RefChem:156834
이름 더 보기
메타콜린메타콜린브로마이드MethacholineAcetyl-βMECHOLYL BROMIDEMETHYLCHOLINE BROMIDEMethacholineBromide>(2-HYDROXYPROPYL)TRIMETACETYL-β-METHYLCHOLINEBROMIDACETYL-B-METHYLCHOLINE BROMIDEAcetyl-β-methylcholine bromide
DTXCID701022901206-372-2333-31-3Acetyl-beta-methylcholine bromide2-acetoxy-n,n,n-trimethylpropan-1-aminium bromide2-acetyloxypropyl(trimethyl)azanium;bromideAcetyl-|A-methylcholine bromide[2-(acetyloxy)propyl]trimethylazanium bromide
데이터베이스 식별자
- CAS
333-31-3- PubChem CID
- 92754
- DTXSID
DTXSID90883364- ChEMBL
CHEMBL2106885- UNII
- M73AI9718D
- EC Number
- 206-372-2
물성
구조 계산 물성
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 138
물리화학적 성질
- 녹는점
- 147 · 147-149 °C(lit.)
- 밀도
- 1.3952 · 1.3952 (rough estimate)
- 굴절률
- 1.612 · 1.6120 (estimate)
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- 수용성
- 거의 투명함
- BRN
- 6098010 · 6098010
- InChI
- 1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
- InChIKey
- MMVPLEUBMWUYIB-UHFFFAOYSA-M
- SMILES
- [Br-].CC(C[N+](C)(C)C)OC(C)=O
- EPA
- 1 · 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (333-31-3)
화학적 성질
WHITE CRYSTALLINE POWDER
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29239000
- 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
용도 및 제조
General Manufacturing Information1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (1:1): INACTIVE
응용 분야
용도Acetyl-β-methylcholine bromide (methylcholine bromide, methacholine bromide, Mch), a muscarinic acetylcholine receptor agonist, may be used in studies that involve the indentification, characterization and mechanism of action of muscarinic acetylcholine receptors. Mch may be used as a reference material in procedures used to detect or quantify its presence.
일반 설명Methacholine can exist as (S) and (R) enantiomers.Although the chemical is used as the racemic mixture, itsmuscarinic activity resides principally in the (S)-isomer.The (S)/(R) ratio of muscarinic potency for these enantiomersis 240:1.
공급사51 곳
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上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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