Basic information
- CAS
4981-10-6- Standard SMILES
CC(=O)O.CC(=O)O.Clc1ccccc1CCNC1CCC(NCCc2ccccc2Cl)CC1- InChIKey
KJTKQMGARPGBEV-UHFFFAOYSA-N- Molecular formula
- C26H36Cl2N2O4
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 510.205213
Names & identifiers
- Preferred name
- 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
- IUPAC
- acetic acid;1-N,4-N-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
Names & synonyms
N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate4981-10-6N,N'-(1,4-Cyclohexylene)bis(2-chlorophenethylamine) diacetate1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetatePhenethylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetateRefChem:220354DTXSID20964418Acetic acid--N~1~,N~4~-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine (2/1)
Database identifiers
- CAS
4981-10-6- PubChem CID
- 78677
- DTXSID
DTXSID20964418
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…