Basic information
- CAS
66232-27-7- Standard SMILES
CCCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
HEBYKHCHUCWIIH-UHFFFAOYSA-N- Molecular formula
- C24H39Cl2NO2
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 443.2357849
Names & identifiers
- Preferred name
- Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, dodecyl ester
- IUPAC
- dodecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
- English name
- dodecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
- Molecular formula
- C24H39Cl2NO2
- Molecular weight
- 444.48
Names & synonyms
BRN 290466166232-27-7ACETIC ACID, 2-(N,N-BIS(2-CHLOROETHYL)AMINOPHENYL)-, DODECYL ESTER2-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid dodecyl esterDTXSID30216430RefChem:316489DTXCID30138921Dodecyl {4-[bis(2-chloroethyl)amino]phenyl}acetatedodecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetateBenzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, dodecyl ester
Database identifiers
- CAS
66232-27-7- PubChem CID
- 47879
- DTXSID
DTXSID30216430
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 530.8 · 530.8±45.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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