2-Bromo-N-ethyl-N-methylethanamine Hydrobromide - CAS 5845-27-2

Catalog:	BB030042
Product Name:	2-Bromo-N-ethyl-N-methylethanamine Hydrobromide
CAS:	5845-27-2
Synonyms:	(E)-1-[5-(4-fluorophenyl)-2-furanyl]-N-(1,2,4-triazol-4-yl)methanimine; (E)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

Technical Data

IUPAC Name:	(E)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Description:	2-Bromo-N-ethyl-N-methylethanamine Hydrobromide (CAS# 5845-27-2 ) is a useful research chemical.
Molecular Weight:	246.97
Molecular Formula:	C5H13Br2N
Canonical SMILES:	C1=CC(=CC=C1C2=CC=C(O2)C=NN3C=NN=C3)F
InChI:	InChI=1S/C13H9FN4O/c14-11-3-1-10(2-4-11)13-6-5-12(19-13)7-17-18-8-15-16-9-18/h1-9H/b17-7+
InChI Key:	AHVNPEWVKSASMS-REZTVBANSA-N
Boiling Point:	444.1 °C at 760 mmHg
Density:	1.34 g/cm³
Solubility:	10.5 [ug/mL] (The mean of the results at pH 7.4)
LogP:	2.55940

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	256.07603909
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.07603909
Rotatable Bond Count:	3
Topological Polar Surface Area:	56.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3