Basic information
- CAS
21954-74-5- Standard SMILES
CCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCCC- InChIKey
KTKLVBDIDBPPRG-UHFFFAOYSA-N- Molecular formula
- C30H62N2O4+2
- Average molar mass
- 514.8 g/mol
- Monoisotopic mass
- 514.47095846
Names & identifiers
- Preferred name
- (2-Decoxy-2-oxoethyl)-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium
- IUPAC
- (2-decoxy-2-oxoethyl)-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium
- English name
- Ethonium
- Molecular formula
- C30H62ClN2O4+
- Molecular weight
- 550.29
Names & synonyms
Ethylenebis[(decyloxycarbonylmethyl)dimethylaminium]CHEMBL4116881DTXSID40944550AKOS002662983(2-decoxy-2-oxoethyl)-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazaniumN~1~,N~2~-Bis[2-(decyloxy)-2-oxoethyl]-N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-bis(aminium)EtoniumEthoniumN1,N2-Bis[2-(decyloxy)-2-oxoethyl]-N1,N1,N2,N2-tetramethyl-1...1,2-Bis[dimethyl(decyloxycarbonylmethyl)aminio]ethane·2chlorideN,N'-Bis[2-(decyloxy)-2-oxoethyl]-N,N,N',N'-tetramethyl-1,2-ethan ediaminium dichlorideN1,N2-Bis[2-(decyloxy)-2-oxoethyl]-N1,N1,N2,N2-tetramethyl-1,2-Ethanediaminium chloride
Show more names
1,2-Ethanediaminium,N1,N2-bis[2-(decyloxy)-2-oxoethyl]-N1,N1,N2,N2-tetramethyl-, chloride (1:2)N(1),N(2)-BIS[2-(DECYLOXY)-2-OXOETHYL]-N(1),N(1),N(2),N(2)-TETRAMETHYL-1,2-ETHANEDIAMINIUM DICHLORIDE
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 27
- Heavy atoms
- 36
- Formal charge
- 2
- Complexity
- 501
Physicochemical properties
- InChI
- InChI=1S/C30H62N2O4.ClH/c1-7-9-11-13-15-17-19-21-25-35-29(33)27-31(3,4)23-24-32(5,6)28-30(34)36-26-22-20-18-16-14-12-10-8-2;/h7-28H2,1-6H3;1H/q+2;/p-1
- InChIKey
- AOJABXWYJOZYHZ-UHFFFAOYSA-M
- SMILES
- [N+](C)(C)(CC(=O)OCCCCCCCCCC)CC[N+](C)(C)CC(=O)OCCCCCCCCCC.[Cl-]
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
安庆济达生物科技有限公司0556-5881618 18956990316 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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