N-乙酰基半胱胺

Acetylcysteamine

HCID 14484CAS 1190-73-4

基本信息

标准SMILES: CC(=O)NCCS
InChIKey: AXFZADXWLMXITO-UHFFFAOYSA-N
分子式: C4H9NOS
平均分子量: 119.19 g/mol
单同位素质量: 119.04048491

概述

N-acetylcysteamine is a member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine. It has a role as a metabolite. It is functionally related to a cysteamine.

名称与标识

首选名称: Acetylcysteamine
IUPAC: N-(2-sulfanylethyl)acetamide
中文名: N-乙酰基半胱胺
英文名: N-(2-Mercaptoethyl)acetamide
分子式: C4H9NOS
分子量: 119.19

名称与别名

N-Acetylcysteamine1190-73-4N-(2-Mercaptoethyl)acetamideAcetylcysteamine2-AcetamidoethanethiolN-AcetylmercaptoethylamineCysteamine,N-acetylNSH3F3JX85N-acetyl-beta-mercaptoethylamineDTXSID90152289NSC-38835thiol N-acetyl-beta-mercaptoethylamine

展开更多名称

乙酰半胱胺N-乙酰半胱胺N-乙酰基半胱胺N -(2 -巯基)乙酰胺N-(2-巯基乙基)乙酰胺N-乙酰基半胱胺PS-5杂质1(N-(2-磺酰基乙基)乙酰胺)PS-5 杂质 1 (N-(2-硫烷基乙基)乙酰胺)N-乙酰基半胱胺（麦克林其他未查到试剂或规格，请联系上平台）N-乙酰基半胱胺(麦克林其他未查到试剂或规格,请联系上平台)n-acetylcysteamin2-(acetylamino)-ethanethio

CHEBI:74410TNA-mercaptoethylamineRefChem:462774DTXCID8074780Acetamide, N-(2-mercaptoethyl)-N-(2-Sulfanylethyl)acetamideCysteamine, N-acetyl-N-Acetyl cysteamin

数据库标识

CAS: 1190-73-4
PubChem CID: 14484
DTXSID: DTXSID90152289
ChEBI: CHEBI:74410
UNII: NSH3F3JX85
EC Number: 683-054-3
Nikkaji: J13.153I

性质

结构计算性质

XLogP: -0.2
极性表面积: 30.1 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 2
重原子: 7
形式电荷: 0
复杂度: 64.7

物理化学性质

熔点: 6 · 6-7 °C (lit.)
沸点: 138 · 138-140 °C/7 mmHg (lit.)
密度: 1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.511(lit.)
闪点: 230 °F · >230 °F
储存条件: Inert atmosphere,Room Temperature
溶解度: Ether; Dichloromethane; Ethyl Acetate; Methanol
酸度系数(pKa): 9.92 · 9.92±0.10(Predicted)
形态: liquid
颜色: Clear
InChI: 1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKey: AXFZADXWLMXITO-UHFFFAOYSA-N
SMILES: CC(=O)NCCS

安全与法规

GHS分类

GHS Classification · 4 条

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
RTECS号: AC4620000
存储类别: 10 - Combustible liquids
安全说明: 26-37/39
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38

化学与工业

上下游产品信息

上游原料

N,S-二乙酰半胱胺 N-乙酰-L-半胱氨酸硫代乙酸乙酰氯氮丙啶巯基乙胺半胱胺盐酸盐乙酐

下游产品

3-碘苯甲醇山梨酸氯化物

试剂价格

XW119073402 · 1g: N-乙酰基半胱胺 — 97元
XW119073401 · 5g: N-乙酰基半胱胺 — 462元

供应商50 家

常州帝通化工有限公司+86-0519-88298848 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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