3-{4-[Benzyl(2-chloroethyl)amino]phenyl}propanoic acid
Basic information
- CAS
6341-01-1- Standard SMILES
O=C(O)CCc1ccc(N(CCCl)Cc2ccccc2)cc1- InChIKey
QFVODYSYEREFJE-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1182566
Names & identifiers
- Preferred name
- 3-{4-[Benzyl(2-chloroethyl)amino]phenyl}propanoic acid
- IUPAC
- 3-[4-[benzyl(2-chloroethyl)amino]phenyl]propanoic acid
Names & synonyms
6341-01-13-{4-[benzyl(2-chloroethyl)amino]phenyl}propanoic acidNSC46329DTXSID60286525NSC-46329
Database identifiers
- CAS
6341-01-1- PubChem CID
- 240244
- DTXSID
DTXSID60286525
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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