763120-62-3
[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]BORONIC ACID
Name[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]BORONIC ACID
1Identification
【Name】
[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]BORONIC ACID
【CAS】
【MDL】
MFCD16198080
【English Synonyms】
【Formula】
C12 H19 B N2 O2
【MolWeight】
234.105
【Inchi】
InChI=1S/C12H19BN2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5,16-17H,6-10H2,1H3
【InChIKey】
InChIKey=JWRMKWKJAQFZKF-UHFFFAOYSA-N
【SMILES】
B(c1ccc(cc1)CN2CCN(CC2)C)(O)O
【MOL File】
[4-[(4-METHYLPIPERAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]BORONIC ACID.cml