215591-45-0
N,N-DIMETHYL-2-(3-BROMO-PHENYL)HISTAMINE OXALATE
NameN,N-DIMETHYL-2-(3-BROMO-PHENYL)HISTAMINE OXALATE
pro_formulaC13 H16 Br N3 . C2 H2 O4
1Identification
【Name】
N,N-DIMETHYL-2-(3-BROMO-PHENYL)HISTAMINE OXALATE
【CAS】
【MDL】
MFCD14636054
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H16 Br N3 . C2 H2 O4
【pro_molWeight】
384.228
【Inchi】
InChI=1S/C13H16BrN3.C2H2O4/c1-17(2)7-6-12-9-15-13(16-12)10-4-3-5-11(14)8-10;3-1(4)2(5)6/h3-5,8-9H,6-7H2,1-2H3,(H,15,16);(H,3,4)(H,5,6)
【InChIKey】
InChIKey=BKYOIJQUTCWTER-UHFFFAOYSA-N
【SMILES】
CN(C)CCc1c[nH]c(n1)c2cccc(c2)Br.C(=O)(C(=O)O)O
【MOL File】
N,N-DIMETHYL-2-(3-BR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N,N-DIMETHYL-2-(3-BROMO-PHENYL)HISTAMINE OXALATE.cml