Butyrylthiocholine iodide

HCID 74630CAS 1866-16-6

기본 정보

표준 SMILES: CCCC(=O)SCC[N+](C)(C)C.[I-]
InChIKey: WEQAAFZDJROSBF-UHFFFAOYSA-M
분자식: C9H20INOS
평균 분자량: 317.23 g/mol
단동위원소 질량: 317.03103326

이름 및 식별자

우선 이름: Butyrylthiocholine iodide
IUPAC: 2-butanoylsulfanylethyl(trimethyl)azanium iodide
영어명: S-Butyrylthiocholine Iodide
분자식: C9H20INOS
분자량: 317.23

이름 및 동의어

1866-16-6Butyrylthiocholine iodide(2-Mercaptoethyl)trimethylammonium iodide butyrateEthanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1:1)EINECS 217-475-7NSC 91564Ammonium, (2-mercaptoethyl)trimethyl-, iodide, butyrateDTXSID10883765Ethanaminium, N,N,N-trimethyl-2-((1-oxobutyl)thio)-, iodide (1:1)RefChem:122384DTXCID401023255Ammonium, (2-mercaptoethyl)trimethyl-, iodide, butyrate (8CI)

이름 더 보기

thiochoLS-ButyryLine iodideS-Iodinated ThiocholineN-BUTYRYLTHIOCHOLINE IODIDEButyrylthiocholine Iodide >S-Butyrylthiocholine iodide,98%

s-Butyrylthiocholine iodide2-(butyrylthio)-n,n,n-trimethylethanaminium iodides-n-Butyrylthiocholine iodide2-(Butyrylthio)-N,N,N-trimethylethan-1-aminium iodideMFCD00011845Ammonium, iodide, butyrate2-butanoylsulfanylethyl(trimethyl)azanium;iodideEthanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide

데이터베이스 식별자

CAS: 1866-16-6
PubChem CID: 74630
DTXSID: DTXSID10883765
ChEMBL: CHEMBL148530
UNII: VJU3Y8N7ZA
EC Number: 217-475-7

물성

구조 계산 물성

극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 171 · 171-174 °C(lit.)
밀도: 1.3969 · 1.3969 (estimate)
저장 조건: -20 °C · -20°C
물리적 상태: 결정 또는 결정성 분말
색상: 하얀색
수용성: 거의 투명함
BRN: 3729509 · 3729509
InChI: InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey: WEQAAFZDJROSBF-UHFFFAOYSA-M
SMILES: C(CSC(=O)CCC)[N+](C)(C)C.[I-]
EPA: -2 · Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1866-16-6)
Absorption: 0.2 at · ≤0.20 at 405nm (Free mercaptan1 cm)

화학적 성질

WHITE CRYSTALS OR CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationEthanaminium, N,N,N-trimethyl-2-(1-oxobutyl)thio-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 1-8-10-13
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1:1): ACTIVE

응용 분야

용도S-Butyrylthiocholine Iodide is a chromogenic substrate for AChE(cholinesterases) and BChE(cholinesterases). Cleavage is measured colorimetrically at 405 nm.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

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