54620-92-7
1-(2-DIMETHYLAMINO-ETHYL)-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
Name1-(2-DIMETHYLAMINO-ETHYL)-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
1Identification
【Name】
1-(2-DIMETHYLAMINO-ETHYL)-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
【CAS】
【MDL】
MFCD22370393
【English Synonyms】
【Formula】
C14 H20 N2 O
【MolWeight】
232.325
【Inchi】
InChI=1S/C14H20N2O/c1-15(2)10-11-16-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3
【InChIKey】
InChIKey=CGKWSTGOSXKNKI-UHFFFAOYSA-N
【SMILES】
CN(C)CCN1CCCC(=O)c2c1cccc2
【MOL File】
1-(2-DIMETHYLAMINO-E….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-DIMETHYLAMINO-ETHYL)-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE.cml