4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
Basic information
- CAS
5740-58-9- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2C)cc1OC- InChIKey
LWUABZCBMQSTCU-UHFFFAOYSA-N- Molecular formula
- C33H43Cl2N3O4
- Average molar mass
- 616.6 g/mol
- Monoisotopic mass
- 615.2630622
Names & identifiers
- Preferred name
- 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
- IUPAC
- 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
Names & synonyms
5740-58-94-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline4-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylanilineNSC88657DTXSID90329095NSC-88657
Database identifiers
- CAS
5740-58-9- PubChem CID
- 417277
- DTXSID
DTXSID90329095
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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