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2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

Dangerous Goods

CAS number：77-38-3    molecular formula：C18H22ClNO

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
Related
MSDS
related products

overview

compound introduction

Chlorphenoxamine is an antihistamine and anticholinergic used as an antipruritic and antiparkinsonian agent

Specs

Chinese alias-
English aliasAS-76607 | Contristamine | p-Chlor-alpha-methyl-diphenhydramin [German] | 4-06-00-04717 (Beilstein Handbook Reference) | Clorfenossamina [DCIT] | 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine | 2-[1-(4-Chlorophenyl)-1-phenylethoxy]-N,N-di
CAS number77-38-3molecular formulaC18H22ClNO
molecular weight303.8Exact mass≥98%
PSA12.5logp4.1

numbering system

CAS77-38-3
UNII3UVD77BP8R
HMDB IDHMDB0240223
KEGG IDD07198
ChEBI ID135288
WikidataQ5103225
ChEMBL IDCHEMBL2110774
WikipediaChlorphenoxamine
AIDS 编号033078
DrugBank IDDB09007
DrugCentral617
PubChem CID6475
Related CAS562-09-4（盐酸盐）
Nikkaji NumberJ4.200E
NCI 词表代码C81131
DSSTox Substance IDDTXSID5022805
Metabolomics Workbench ID152080
European Community (EC) Number616-456-4
PubChem Reference Collection SID505571720
International Nonproprietary Names (INN)CHLORPHENOXAMINE

physicochemical properties

XLogP3XLogP3-AA: 4.1
熔点128
复杂性296
Exact Mass303.1389920
Human Drugs药品
形式电荷0
重原子计数21
Molecular Weight303.8
Monoisotopic Mass303.1389920
可旋转键计数6
氢键供体计数0
氢键受体计数2
Kovats 保留指数标准非极性：2085.1
共价键单元计数1
同位素原子计数0
拓扑极性表面积12.5 Ų
定义键立体中心计数0
定义原子立体中心计数0
未定义键立体中心计数0
未定义原子手性中心计数1

Safety information

法规信息：
REACH注册物质：状态：活跃 更新：2014-12-18 https://echa.europa.eu/registration-dossier/-/registered-dossier/6771
危害类别和分类：
急性毒性 4 (100%)

Production methods and uses

purpose
用途：
计算去除率(%)：57.8
使用分类：
药品
工业应用参考：
工业分类参考：医药制造业。 应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件 。 作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。 选型提示：精细化学品的稳定性不仅取决于材料本身，也与生产流程、仓储物流、追溯能力和管理水平密切相关 。

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downstream information

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MSDS

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