AC1L9BOW

4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline

Also Known As: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y|4,4'-[(2-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}-1,3-diazinane-1,3-diyl)bis(methylene)]bis(N,N-dimethylaniline)|4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline|4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline|BENZENAMINE,4-[1,3-BIS[[4-(DIMETHYLAMINO)PHENYL]METHYL]HEXAHYDRO-2-PYRIMIDINYL]-N,N-BIS(2-CHLOROETHYL)-3-METHYL-

Molecular Formula	C33H45Cl2N5
Molecular Weight	581.3052 g/mol
LogP	7.0
Topological Polar Surface Area	16.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	12
Exact Mass	581.3052
Monoisotopic Mass	581.3052
Heavy Atoms	40
Complexity	663.0

Chemical Identifiers

CAS Number	811-07-4
SMILES	CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)N(C)C
InChIKey	XLBCXZQJEFWFAS-UHFFFAOYSA-N