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

HCID 2734059CAS 3945-69-5

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]
InChIKey: BMTZEAOGFDXDAD-UHFFFAOYSA-M
Molecular formula: C10H17ClN4O3
Average molar mass: 276.72 g/mol

Overview

structure in first source

Names & identifiers

Preferred name: 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

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 236

Safety & regulation

GHS classification

GHS Classification · 6 items

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]