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

HCID 2734059CAS 3945-69-5

部分構造検索類似構造を探す

基本情報

標準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

概要

structure in first source

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 66.4 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 3
重原子数: 18
形式電荷: 0
複雑度: 236

安全と法規制

GHS分類

GHS Classification · 6 件

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]