AC1L9D91 structure

AC1L9D91

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

Also Known As: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline|4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N|4-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline

CAS: 5740-58-9
Molecular Formula C33H43Cl2N3O4
Molecular Weight 615.26306 g/mol
LogP 6.6
Topological Polar Surface Area 46.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 14
Exact Mass 615.26306
Monoisotopic Mass 615.26306
Heavy Atoms 42
Complexity 723.0

Chemical Identifiers

CAS Number 5740-58-9
SMILES CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC(=C(C=C3)OC)OC)CC4=CC(=C(C=C4)OC)OC
InChIKey LWUABZCBMQSTCU-UHFFFAOYSA-N

Product Overview

AC1L9D91 (CAS 5740-58-9), with molecular formula C33H43Cl2N3O4 and molecular weight 615.26306 g/mol. IUPAC: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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