100802-10-6
1-(2-(N-(CYCLOHEXYLMETHYL)ANILINO)ETHYL)-1-METHYLPIPERIDINIUM BROMIDE
Name1-(2-(N-(CYCLOHEXYLMETHYL)ANILINO)ETHYL)-1-METHYLPIPERIDINIUM BROMIDE
pro_formulaC21 H35 N2 . Br
1Identification
【Name】
1-(2-(N-(CYCLOHEXYLMETHYL)ANILINO)ETHYL)-1-METHYLPIPERIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01699949
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H35 N2 . Br
【pro_molWeight】
395.426
【Inchi】
InChI=1S/C21H35N2.BrH/c1-23(16-9-4-10-17-23)18-15-22(21-13-7-3-8-14-21)19-20-11-5-2-6-12-20;/h3,7-8,13-14,20H,2,4-6,9-12,15-19H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=FMUFIVRNXMUAAM-UHFFFAOYSA-M
【SMILES】
C[N+]1(CCCCC1)CCN(CC2CCCCC2)c3ccccc3.[Br-]
【MOL File】
1-(2-(N-(CYCLOHEXYLM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-(N-(CYCLOHEXYLMETHYL)ANILINO)ETHYL)-1-METHYLPIPERIDINIUM BROMIDE.cml