RefChem:118711

N-[4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide

Also Known As: EINECS 226-011-2|2-[4- buta-1,3-dienyl]-3-ethylbenzoxazoliumiodide|Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-, iodide|Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-, iodide (1:1)|Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-, iodide|3-ETHYL-2-[4-(N-PHENYLACETAMIDO)BUTA-1,3-DIEN-1-YL]-1,3-BENZOXAZOL-3-IUM IODIDE|Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-, iodide (1:1)|N-[(1E,3E)-4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide|N-[(1E,3E)-4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide

Molecular Formula	C21H21IN2O2
Molecular Weight	460.0648 g/mol
LogP	1.32
Topological Polar Surface Area	37.33 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	460.0648
Heavy Atoms	26
Complexity	929.6

Chemical Identifiers

CAS Number	5217-54-9
SMILES	CC[N+]1=C(OC2=CC=CC=C21)C=CC=CN(C3=CC=CC=C3)C(=O)C.[I-]