M&B 4261

4-[[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide;chloride;hydrochloride

Also Known As: M&B 4261|M & B 4261|8-((p-Amidinophenylazo)amino)-3-amino-5-ethyl-6-phenylphenanthridinium chloride hydrochloride|Phenanthridinium, 8-(3-(p-amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenyl-, chloride, hydrochloride|4-[[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide;chloride;hydrochloride|3-Amino-8-{3-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]triaz-1-en-1-yl}-5-ethyl-6-phenylphenanthridin-5-ium chloride--hydrogen chloride (1/1/1)|4-[[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide chloride hydrochloride

Molecular Formula	C28H27Cl2N7
Molecular Weight	531.1705 g/mol
LogP	3.37027
Topological Polar Surface Area	117.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	531.1705
Monoisotopic Mass	531.1705
Heavy Atoms	37
Complexity	727.0

Chemical Identifiers

CAS Number	4174-67-8
SMILES	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NN=NC5=CC=C(C=C5)C(=N)N)N.Cl.[Cl-]
InChIKey	XQOIJTPBWJYTGU-UHFFFAOYSA-N