Basic information
- CAS
2378-77-0- Standard SMILES
CC(=O)O.CC(=O)O.Clc1ccccc1CNC1CCC(NCc2ccccc2Cl)CC1- InChIKey
LWUYTXFIYUOZGE-UHFFFAOYSA-N- Molecular formula
- C24H32Cl2N2O4
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 482.1739129
Names & identifiers
- Preferred name
- 1,4-Cyclohexanediamine, N,N'-bis(2-chlorobenzyl)-, diacetate, (E)-
- IUPAC
- acetic acid;1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine
Names & synonyms
1,4-Cyclohexanediamine, N,N'-bis(2-chlorobenzyl)-, diacetate, (E)-2378-77-0DTXSID90178469trans-N,N'-(1,4-Cyclohexylene)bis(2-chlorobenzylamine) diacetate(trans)-N,N'-Bis(2-chlorobenzyl)-1,4-cyclohexanediamine diacetateBenzylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetate, (E)-RefChem:220352DTXCID70100960Acetic acid--N~1~,N~4~-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine (2/1)
Database identifiers
- CAS
2378-77-0- PubChem CID
- 102249
- DTXSID
DTXSID90178469
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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