86871-75-2
1-PROPANAMINE, 3-((5-(4-CHLOROPHENYL)-4-METHYL-1H-PYRAZOL-3-YL)OXY)-N, N-DIMETHYL-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Name
1-PROPANAMINE, 3-((5-(4-CHLOROPHENYL)-4-METHYL-1H-PYRAZOL-3-YL)OXY)-N, N-DIMETHYL-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1)
pro_formula
C15 H20 Cl N3 O . C4 H6 O6
pro_molWeight
443.881
1Identification
【Name】
1-PROPANAMINE, 3-((5-(4-CHLOROPHENYL)-4-METHYL-1H-PYRAZOL-3-YL)OXY)-N, N-DIMETHYL-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1)
【CAS】
【MDL】
MFCD01756820
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H20 Cl N3 O . C4 H6 O6
【pro_molWeight】
443.881
【Inchi】
InChI=1S/C15H20ClN3O.C4H6O6/c1-11-14(12-5-7-13(16)8-6-12)17-18-15(11)20-10-4-9-19(2)3;5-1(3(7)8)2(6)4(9)10/h5-8H,4,9-10H2,1-3H3,(H,17,18);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
【InChIKey】
InChIKey=GMZAMGOYHWEPCC-LREBCSMRSA-N
【SMILES】
Cc1c([nH]nc1OCCCN(C)C)c2ccc(cc2)Cl.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F