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38146-42-8

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Basic Information
CAS No.: 38146-42-8
Name: Decamethoxine
Molecular Structure:
Molecular Structure of 38146-42-8 (Decamethoxine)
Formula: C38H74Cl2N2O4
Molecular Weight: 693.9112
Synonyms: 1,10-Decanediaminium,N,N,N',N'-tetramethyl- N,N'-bis[2-[[5-methyl-2-(1-methylethyl)cyclohexyl] oxy]-2-oxoethyl]-,dichloride;
PSA: 52.60000
LogP: 2.27600
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    DecaMethoxine

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    38146-42-8

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Chemistry

Molecule structure of Decamethoxine (CAS NO.38146-42-8):

IUPAC Name: 10-[Dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium dichloride 
Molecular Weight: 693.91116 g/mol
Molecular Formula: C38H74Cl2N2O4
H-Bond Acceptor: 6
Rotatable Bond Count: 21
Exact Mass: 692.502564
MonoIsotopic Mass: 692.502564
Topological Polar Surface Area: 52.6
Heavy Atom Count: 46
Canonical SMILES: CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]
InChI: InChI=1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4;;/h29-36H,11-28H2,1-10H3;2*1H/q+2;;/p-2
InChIKey of Decamethoxine (CAS NO.38146-42-8): LRQIWRXCHWNNEA-UHFFFAOYSA-L
Classification Code: Anti-Bacterial Agents; Anti-Infective Agents; Anti-infective agents, local

Specification

 Decamethoxine (CAS NO.38146-42-8) is also named as Dekametoksin ; 1,10-Decanediaminium, N,N,N',N'-tetramethyl-N,N-bis((2-methyl-5-(1-methylethyl)cyclohexyl)methyl)-, dichloride ; 1,10-Decanediammonium, N,N,N',N'-tetramethyl-N,N'-bis(2-((5-methyl-2-(1-methylethyl)-cyclohexyl)-2-oxoethyl)-, dichloride .