Basic information
- CAS
810-91-3- Standard SMILES
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(Cl)c(Cl)c2)CCCN1Cc1ccc(Cl)c(Cl)c1- InChIKey
HVTPHRKVZUWEKZ-UHFFFAOYSA-N- Molecular formula
- C29H31Cl6N3
- Average molar mass
- 634.3 g/mol
- Monoisotopic mass
- 631.064914
Names & identifiers
- Preferred name
- 4-{1,3-Bis[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline
- IUPAC
- 4-[1,3-bis[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
Names & synonyms
NSC70859810-91-3DTXSID70328945NSC-708594-{1,3-Bis[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)-3-methylaniline
Database identifiers
- CAS
810-91-3- PubChem CID
- 415562
- DTXSID
DTXSID70328945
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…