Butanoic acid, 4-(methylphenylamino)-, methyl ester
Basic information
- CAS
110324-86-2- Standard SMILES
COC(=O)CCCN(C)c1ccccc1- InChIKey
AWSLEHLTQLYNAY-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Butanoic acid, 4-(methylphenylamino)-, methyl ester
- IUPAC
- methyl 4-(N-methylanilino)butanoate
Names & synonyms
110324-86-2Butanoic acid, 4-(methylphenylamino)-, methyl estermethyl 4-(N-methylanilino)butanoateSCHEMBL30826512DTXSID30655946AKOS009489487Methyl 4-[methyl(phenyl)amino]butanoateZ415714100
Database identifiers
- CAS
110324-86-2- PubChem CID
- 43377693
- DTXSID
DTXSID30655946
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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