947249-43-6
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
Name2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
1Identification
【Name】
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD13190593
【English Synonyms】
【Formula】
C18 H29 B N4 O3
【MolWeight】
360.263
【Inchi】
InChI=1S/C18H29BN4O3/c1-17(2)18(3,4)26-19(25-17)13-11-14(15(20)22-12-13)16(24)21-7-10-23-8-5-6-9-23/h11-12H,5-10H2,1-4H3,(H2,20,22)(H,21,24)
【InChIKey】
InChIKey=QNIDJQXYLRXERA-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N)C(=O)NCCN3CCCC3
【MOL File】
2-AMINO-5-(4,4,5,5-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE.cml