933691-92-0
5-AMINO-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE
Name5-AMINO-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE
1Identification
【Name】
5-AMINO-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE
【CAS】
【MDL】
MFCD10698542
【English Synonyms】
【Formula】
C10 H12 N2 O
【MolWeight】
176.218
【Inchi】
InChI=1S/C10H12N2O/c11-8-5-6-10(13)12-9-4-2-1-3-7(8)9/h1-4,8H,5-6,11H2,(H,12,13)
【InChIKey】
InChIKey=LJJDPENCWGBJBN-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)C(CCC(=O)N2)N
【MOL File】
5-AMINO-4,5-DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE.cml