102366-70-1
4-AMINOSALICYLIC ACID 3-(DIETHYLAMINO)PROPYL ESTER HYDROGEN PHOSPHATE
Name4-AMINOSALICYLIC ACID 3-(DIETHYLAMINO)PROPYL ESTER HYDROGEN PHOSPHATE
FormulaC14 H22 N2 O3 . H3 O4 P
1Identification
【Name】
4-AMINOSALICYLIC ACID 3-(DIETHYLAMINO)PROPYL ESTER HYDROGEN PHOSPHATE
【CAS】
【MDL】
MFCD01684517
【English Synonyms】
【Formula】
C14 H22 N2 O3 . H3 O4 P
【MolWeight】
364.332
【Inchi】
InChI=1S/C14H22N2O3.H3O4P/c1-3-16(4-2)8-5-9-19-14(18)12-7-6-11(15)10-13(12)17;1-5(2,3)4/h6-7,10,17H,3-5,8-9,15H2,1-2H3;(H3,1,2,3,4)
【InChIKey】
InChIKey=SPTDFHQRCNDSHI-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCCOC(=O)c1ccc(cc1O)N.OP(=O)(O)O
【MOL File】
4-AMINOSALICYLIC ACI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINOSALICYLIC ACID 3-(DIETHYLAMINO)PROPYL ESTER HYDROGEN PHOSPHATE.cml