Basic information
- CAS
66232-30-2- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
XHDQZPFSXMCVDF-UHFFFAOYSA-N- Molecular formula
- C30H51Cl2NO2
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 527.3296853
Names & identifiers
- Preferred name
- Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
- IUPAC
- octadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Names & synonyms
66232-30-2BRN 2917059ACETIC ACID, 2-(N,N-BIS(2-CHLOROETHYL)AMINOPHENYL)-, OCTADECYL ESTER2-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid octadecyl esterDTXSID10216433NSC 153714RefChem:316491DTXCID10138924NSC153714NSC-153714Octadecyl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Database identifiers
- CAS
66232-30-2- PubChem CID
- 47882
- DTXSID
DTXSID10216433
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 25
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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