Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, undecyl ester
Basic information
- CAS
66232-26-6- Standard SMILES
CCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
KXQOWLUWNIVZES-UHFFFAOYSA-N- Molecular formula
- C23H37Cl2NO2
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.2201348
Names & identifiers
- Preferred name
- Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, undecyl ester
- IUPAC
- undecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Names & synonyms
BRN 2901884ACETIC ACID, 2-(N,N-BIS(2-CHLOROETHYL)AMINOPHENYL)-, UNDECYL ESTER66232-26-62-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid undecyl esterDTXSID20216429RefChem:316493DTXCID70138920Undecyl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Database identifiers
- CAS
66232-26-6- PubChem CID
- 47878
- DTXSID
DTXSID20216429
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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