54951-26-7
2,3,4,5-TETRAHYDRO-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
Name2,3,4,5-TETRAHYDRO-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
1Identification
【Name】
2,3,4,5-TETRAHYDRO-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
【CAS】
【MDL】
MFCD01668210
【English Synonyms】
【Formula】
C14 H17 N3 O
【MolWeight】
243.308
【Inchi】
InChI=1S/C14H17N3O/c18-14-7-3-5-11-4-1-2-6-12(11)17(14)10-13-15-8-9-16-13/h1-2,4,6H,3,5,7-10H2,(H,15,16)
【InChIKey】
InChIKey=QJNSVIYGOVNUCN-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCCC(=O)N2CC3=NCCN3
【MOL File】
2,3,4,5-TETRAHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4,5-TETRAHYDRO-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE.cml