AC1MI6GN

2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione;hydrochloride

Also Known As: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl|1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride|2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione hydrochloride|2-{[Bis(2-chloroethyl)amino]methyl}-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione--hydrogen chloride (1/1)

Molecular Formula	C31H42Cl3NO4
Molecular Weight	597.21796 g/mol
LogP	7.8739
Topological Polar Surface Area	55.84 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	20
Exact Mass	597.21796
Monoisotopic Mass	597.21796
Heavy Atoms	39
Complexity	989.89856

Chemical Identifiers

CAS Number	101684-63-3
SMILES	CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl.Cl