4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

HCID 2734059CAS 3945-69-5

子结构检索查找相似结构

基本信息

标准SMILES: COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]
InChIKey: BMTZEAOGFDXDAD-UHFFFAOYSA-M
分子式: C10H17ClN4O3
平均分子量: 276.72 g/mol

概述

structure in first source

名称与标识

首选名称: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
IUPAC: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride

名称与别名

3945-69-5DMTMM4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloridedmt-mmBLD6N6AV8LDTXSID50370104RefChem:513503DTXCID403211404-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chlorideMFCD03613550Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride

展开更多名称

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium;chloride4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-morpholin-4-ium;chloride4-(4,6-Dimethoxy-S-triazin-2-yl)-4-methylmorpholinium chloride4-(4,6-Dimethoxy-1,3,5-triazine-2-yl)-4-methylmorpholinium chlorideMorpholinium, 4-(4,6-dimethoxy-S-triazin-2-yl)-4-methyl-, chloride4-(4,6-dimethoxy-[1,3,5]triazin-2-yl)-4-methyl-morpholin-4-ium chloride4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMTMM)C10H17ClN4O3

数据库标识

CAS: 3945-69-5
PubChem CID: 2734059
DTXSID: DTXSID50370104
UNII: BLD6N6AV8L
EC Number: 447-230-1、629-542-1

性质

结构计算性质

极性表面积: 66.4 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 3
重原子: 18
形式电荷: 0
复杂度: 236

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]