Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, tetradecyl ester
Basic information
- CAS
66232-28-8- Standard SMILES
CCCCCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
GYOHPKQEXPJQSW-UHFFFAOYSA-N- Molecular formula
- C26H43Cl2NO2
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 471.267085
Names & identifiers
- Preferred name
- Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, tetradecyl ester
- IUPAC
- tetradecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Names & synonyms
BRN 2909027ACETIC ACID, 2-(N,N-BIS(2-CHLOROETHYL)AMINOPHENYL)-, TETRADECYL ESTER66232-28-82-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid tetradecyl esterDTXSID90216431RefChem:316492DTXCID90138922tetradecyl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Database identifiers
- CAS
66232-28-8- PubChem CID
- 47880
- DTXSID
DTXSID90216431
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 408
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…