54399-04-1
(2-HYDROXYETHYL)TRIMETHYLAMMONIUM IODIDE P-BROMOMETHYLBENZOATE
Name(2-HYDROXYETHYL)TRIMETHYLAMMONIUM IODIDE P-BROMOMETHYLBENZOATE
FormulaC13 H19 Br N O2 . I
1Identification
【Name】
(2-HYDROXYETHYL)TRIMETHYLAMMONIUM IODIDE P-BROMOMETHYLBENZOATE
【CAS】
【MDL】
MFCD01669221
【English Synonyms】
【Formula】
C13 H19 Br N O2 . I
【MolWeight】
428.102
【Inchi】
InChI=1S/C13H19BrNO2.HI/c1-15(2,3)8-9-17-13(16)12-6-4-11(10-14)5-7-12;/h4-7H,8-10H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZSHJZRPVBKCWPJ-UHFFFAOYSA-M
【SMILES】
C[N+](C)(C)CCOC(=O)c1ccc(cc1)CBr.[I-]
【MOL File】
(2-HYDROXYETHYL)TRIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-HYDROXYETHYL)TRIMETHYLAMMONIUM IODIDE P-BROMOMETHYLBENZOATE.cml