Basic information
- CAS
6296-43-1- Standard SMILES
CCN(CCCl)c1ccc(CCCC(=O)O)cc1- InChIKey
HYPAPTLGLZWLID-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic acid
- IUPAC
- 4-[4-[2-chloroethyl(ethyl)amino]phenyl]butanoic acid
Names & synonyms
4-{4-[(2-chloroethyl)(ethyl)amino]phenyl}butanoic acid6296-43-16K739F3D6ANSC-47539Benzenebutanoic acid, 4-((2-chloroethyl)ethylamino)-4-((2-Chloroethyl)ethylamino)benzenebutanoic acid4-[(2-Chloroethyl)ethylamino]benzenebutanoic acidBenzenebutanoic acid, 4-[(2-chloroethyl)ethylamino]-4-(4-((2-Chloroethyl)(ethyl)amino)phenyl)butanoic acidNSC47539UNII-6K739F3D6A4-[4-[2-chloroethyl(ethyl)amino]phenyl]butanoic acid
Show more names
DTXSID40978815NSC 47539p-[N-Ethyl-N-(2-chloroethyl)amino]phenylbutyric acidButyric acid, 4-[p-[(2-chloroethyl)ethylamino]phenyl]-
Database identifiers
- CAS
6296-43-1- PubChem CID
- 96008
- DTXSID
DTXSID40978815- UNII
- 6K739F3D6A
- Nikkaji
- J969.026C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…