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118845-97-9

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Basic Information
CAS No.: 118845-97-9
Name: N-cyclohexyl-N'-2-morpholinoethyl-carbodiimide-methyl-4-toluolsulfonate
Molecular Structure:
Molecular Structure of 118845-97-9 (N-cyclohexyl-N'-2-morpholinoethyl-carbodiimide-methyl-4-toluolsulfonate)
Formula: C21H36N3O4S+
Molecular Weight: 426.5927 g/mol
Synonyms: Benzenesulfonic acid, 4-methyl-, methyl ester, compd. with N-(cyclohexylcarbonimidoyl)-4-morpholineethanamine (1:1);Cmc-cdi;1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate;N-Cyclohexyl-N-2-morpholinoethyl-carbodiimide-methyl-4-toluolsulfonate;4-methylbenzenesulfonic acid; N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]cyclohexanecarboximidamide;
PSA: 107.86000
LogP: 4.38230
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Chemistry

IUPAC Name: 4-Methylbenzenesulfonic acid ; N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]cyclohexanecarboximidamide 
Following is the structure of 4-Morpholineethanamine, N-(cyclohexylcarbonimidoyl)-, comdp. with 4-methylbenzenesulfonate (1:1) (CAS NO.118845-97-9):
                            
Empirical Formula: C21H36N3O4S
Molecular Weight: 426.5927 g/mol
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCOCC1)CCN=C(C2CCCCC2)N
InChI: InChI=1S/C14H28N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-16-14(15)13-5-3-2-4-6-13;1-6-2-4-7(5-3-6)11(8,9)10/h13H,2-12H2,1H3,(H2,15,16);2-5H,1H3,(H,8,9,10)/q+1;
InChIKey: GWYOLUOGOHTLCQ-UHFFFAOYSA-N

Specification

 4-Morpholineethanamine, N-(cyclohexylcarbonimidoyl)-, comdp. with 4-methylbenzenesulfonate (1:1) , its cas register number is 118845-97-9. It also can be called 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-
toluenesulfonate ; and Cmc-cdi .