915922-44-0
[3-(4-BROMOPHENOXY)PROPYL]METHYLAMINE OXALATE
Name[3-(4-BROMOPHENOXY)PROPYL]METHYLAMINE OXALATE
FormulaC10 H14 Br N O . C2 H2 O4
1Identification
【Name】
[3-(4-BROMOPHENOXY)PROPYL]METHYLAMINE OXALATE
【CAS】
【MDL】
MFCD05986803
【English Synonyms】
【Formula】
C10 H14 Br N O . C2 H2 O4
【MolWeight】
334.164
【Inchi】
InChI=1S/C10H14BrNO.C2H2O4/c1-12-7-2-8-13-10-5-3-9(11)4-6-10;3-1(4)2(5)6/h3-6,12H,2,7-8H2,1H3;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=VUZSBXCKAGTLJQ-UHFFFAOYSA-N
【SMILES】
CNCCCOc1ccc(cc1)Br.C(=O)(C(=O)O)O
【MOL File】
[3-(4-BROMOPHENOXY)P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3-(4-BROMOPHENOXY)PROPYL]METHYLAMINE OXALATE.cml