284493-93-2
3-(3-BROMOPHENYL)-N,N,N-TRIETHYL-3-OXOPROP-1-EN-1-AMINIUM CHLORIDE
Name3-(3-BROMOPHENYL)-N,N,N-TRIETHYL-3-OXOPROP-1-EN-1-AMINIUM CHLORIDE
FormulaC15 H21 Br N O . Cl
1Identification
【Name】
3-(3-BROMOPHENYL)-N,N,N-TRIETHYL-3-OXOPROP-1-EN-1-AMINIUM CHLORIDE
【CAS】
【MDL】
MFCD01099468
【English Synonyms】
【Formula】
C15 H21 Br N O . Cl
【MolWeight】
346.694
【Inchi】
InChI=1S/C15H21BrNO.ClH/c1-4-17(5-2,6-3)11-10-15(18)13-8-7-9-14(16)12-13;/h7-12H,4-6H2,1-3H3;1H/q+1;/p-1/b11-10+;
【InChIKey】
InChIKey=PWCGLPMZUOMTMZ-ASTDGNLGSA-M
【SMILES】
CC[N+](CC)(CC)/C=C/C(=O)c1cccc(c1)Br.[Cl-]
【MOL File】
3-(3-BROMOPHENYL)-N,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-BROMOPHENYL)-N,N,N-TRIETHYL-3-OXOPROP-1-EN-1-AMINIUM CHLORIDE.cml