Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
Basic information
- CAS
6296-40-8- Standard SMILES
COC(=O)CCc1ccc(CNCCCl)cc1- InChIKey
PGUODNDNZRLUBU-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO2
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.1026065
Names & identifiers
- Preferred name
- Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
- IUPAC
- methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
Names & synonyms
6296-40-8methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoateDTXSID30328709METHYL 3-(4-{[(2-CHLOROETHYL)AMINO]METHYL}PHENYL)PROPANOATE
Database identifiers
- CAS
6296-40-8- PubChem CID
- 413383
- DTXSID
DTXSID30328709
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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