101225-51-8
TRANS-6,8-DIMETHYL-7A,8,9,10,11,11A-HEXAHYDRO-7H-PYRROLO(3,2,1-GH)-4,7-PHENANTHROLINE MALEATE
NameTRANS-6,8-DIMETHYL-7A,8,9,10,11,11A-HEXAHYDRO-7H-PYRROLO(3,2,1-GH)-4,7-PHENANTHROLINE MALEATE
FormulaC16 H20 N2 . C4 H4 O4
1Identification
【Name】
TRANS-6,8-DIMETHYL-7A,8,9,10,11,11A-HEXAHYDRO-7H-PYRROLO(3,2,1-GH)-4,7-PHENANTHROLINE MALEATE
【CAS】
【MDL】
MFCD01686946
【English Synonyms】
【Formula】
C16 H20 N2 . C4 H4 O4
【MolWeight】
356.42
【Inchi】
InChI=1S/C16H20N2.C4H4O4/c1-11-10-18-8-4-6-13-12-5-3-7-17(2)15(12)9-14(11)16(13)18;5-3(6)1-2-4(7)8/h4,6,8,10,12,15H,3,5,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-,15-;/m1./s1
【InChIKey】
InChIKey=SRCYWKNKQFDUIH-MYEDZUQJSA-N
【SMILES】
Cc1cn2cccc3c2c1C[C@@H]4[C@@H]3CCCN4C.C(=C\C(=O)O)\C(=O)O
【MOL File】
TRANS-6,8-DIMETHYL-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-6,8-DIMETHYL-7A,8,9,10,11,11A-HEXAHYDRO-7H-PYRROLO(3,2,1-GH)-4,7-PHENANTHROLINE MALEATE.cml