139214-97-4
1-PROPANAMINE, N,N-DIMETHYL-3-(2-(2-(3-METHYL-5-ISOXAZOLYL)ETHENYL)PHE NOXY)-, MONOHYDROCHLORIDE, (E)-
Name1-PROPANAMINE, N,N-DIMETHYL-3-(2-(2-(3-METHYL-5-ISOXAZOLYL)ETHENYL)PHE NOXY)-, MONOHYDROCHLORIDE, (E)-
FormulaC17 H22 N2 O2 . Cl H
1Identification
【Name】
1-PROPANAMINE, N,N-DIMETHYL-3-(2-(2-(3-METHYL-5-ISOXAZOLYL)ETHENYL)PHE NOXY)-, MONOHYDROCHLORIDE, (E)-
【CAS】
【MDL】
MFCD01698533
【English Synonyms】
【Formula】
C17 H22 N2 O2 . Cl H
【MolWeight】
322.834
【Inchi】
InChI=1S/C17H22N2O2.ClH/c1-14-13-16(21-18-14)10-9-15-7-4-5-8-17(15)20-12-6-11-19(2)3;/h4-5,7-10,13H,6,11-12H2,1-3H3;1H/b10-9+;
【InChIKey】
InChIKey=MANAPADXPITEHJ-RRABGKBLSA-N
【SMILES】
Cc1cc(on1)/C=C/c2ccccc2OCCCN(C)C.Cl
【MOL File】
1-PROPANAMINE, N,N-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PROPANAMINE, N,N-DIMETHYL-3-(2-(2-(3-METHYL-5-ISOXAZOLYL)ETHENYL)PHE NOXY)-, MONOHYDROCHLORIDE, (E)-.cml