2,3-EPOXYPROPYLTRIMETHYLAMMONIUM CHLORIDE
General Information
| Mainterm | 2,3-EPOXYPROPYLTRIMETHYLAMMONIUM CHLORIDE |
| CAS Reg.No.(or other ID) | 3033-77-0 |
| Regnum |
178.3520 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 18205 |
| IUPAC Name | trimethyl(oxiran-2-ylmethyl)azanium;chloride |
| InChI | InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1 |
| InChI Key | PUVAFTRIIUSGLK-UHFFFAOYSA-M |
| Canonical SMILES | C[N+](C)(C)CC1CO1.[Cl-] |
| Molecular Formula | C6H14NOCl |
| Wikipedia | glycidyltrimethylammonium chloride |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 151.634 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Complexity | 85.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B i I A A E A A A A A A A A A A A A E g A A A A A A A A A A A A A A A A A A A A A A A A A A H g A A A A A A C B T h g A Y C A A M A B A A A A A A A A A A A A A A A A A A A A A A I A A A C A A A A A A A F A A A C A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 12.5 |
| Monoisotopic Mass | 151.076 |
| Exact Mass | 151.076 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetraalkylammonium salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Tetraalkylammonium salt - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. |
From ClassyFire