4-{1,3-Bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline
Basic information
- CAS
991-19-5- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(N(CCCl)CCCl)cc2C)cc1- InChIKey
GPSOCOVGFSHRPM-UHFFFAOYSA-N- Molecular formula
- C31H39Cl2N3O2
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 555.2419329
Names & identifiers
- Preferred name
- 4-{1,3-Bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline
- IUPAC
- 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
Names & synonyms
NSC70245991-19-5DTXSID90328942NSC-702454-{1,3-Bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline
Database identifiers
- CAS
991-19-5- PubChem CID
- 415450
- DTXSID
DTXSID90328942
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 617
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…