1049741-49-2
(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YL-METHYL)-(3-METHYL-BUTYL)-AMINE HYDROCHLORIDE
Name(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YL-METHYL)-(3-METHYL-BUTYL)-AMINE HYDROCHLORIDE
FormulaC15 H23 N O2 . Cl H
1Identification
【Name】
(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YL-METHYL)-(3-METHYL-BUTYL)-AMINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD03312995
【English Synonyms】
【Formula】
C15 H23 N O2 . Cl H
【MolWeight】
285.813
【Inchi】
InChI=1S/C15H23NO2.ClH/c1-12(2)7-8-16-9-15-17-10-13-5-3-4-6-14(13)11-18-15;/h3-6,12,15-16H,7-11H2,1-2H3;1H
【InChIKey】
InChIKey=KTTHORNEJZAUKZ-UHFFFAOYSA-N
【SMILES】
CC(C)CCNCC1OCc2ccccc2CO1.Cl
【MOL File】
(5,9-DIHYDRO-6,8-DIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YL-METHYL)-(3-METHYL-BUTYL)-AMINE HYDROCHLORIDE.cml