157309-18-7
7-(2-(N-METHYL-N-CYCLOHEXYL)AMINOETHYL)-1,3-DIMETHYLXANTHINE TARTRATE
Name7-(2-(N-METHYL-N-CYCLOHEXYL)AMINOETHYL)-1,3-DIMETHYLXANTHINE TARTRATE
FormulaC16 H25 N5 O2 . C4 H6 O6
1Identification
【Name】
7-(2-(N-METHYL-N-CYCLOHEXYL)AMINOETHYL)-1,3-DIMETHYLXANTHINE TARTRATE
【CAS】
【MDL】
MFCD01766087
【English Synonyms】
【Formula】
C16 H25 N5 O2 . C4 H6 O6
【MolWeight】
469.492
【Inchi】
InChI=1S/C16H25N5O2.C4H6O6/c1-18(12-7-5-4-6-8-12)9-10-21-11-17-14-13(21)15(22)20(3)16(23)19(14)2;5-1(3(7)8)2(6)4(9)10/h11-12H,4-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
【InChIKey】
InChIKey=KVKDDZMXSBYNGO-LREBCSMRSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN(C)C3CCCCC3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
【MOL File】
7-(2-(N-METHYL-N-CYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-(N-METHYL-N-CYCLOHEXYL)AMINOETHYL)-1,3-DIMETHYLXANTHINE TARTRATE.cml