700802-76-2
4-(4-ISOPROPYLPIPERAZIN-1-YL)BENZOIC ACID
Name4-(4-ISOPROPYLPIPERAZIN-1-YL)BENZOIC ACID
1Identification
【Name】
4-(4-ISOPROPYLPIPERAZIN-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD06742240
【English Synonyms】
【Formula】
C14 H20 N2 O2
【MolWeight】
248.324
【Inchi】
InChI=1S/C14H20N2O2/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(4-6-13)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=TVFABCRYJXZFKI-UHFFFAOYSA-N
【SMILES】
CC(C)N1CCN(CC1)c2ccc(cc2)C(=O)O
【MOL File】
4-(4-ISOPROPYLPIPERA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-ISOPROPYLPIPERAZIN-1-YL)BENZOIC ACID.cml