Basic information
- CAS
25063-23-4- Standard SMILES
CCC(C)COC(=O)c1ccc(N(C)C)cc1- InChIKey
DDFJYMPPPJNZME-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2-Methylbutyl 4-(dimethylamino)benzoate
- IUPAC
- 2-methylbutyl 4-(dimethylamino)benzoate
- English name
- 2-methylbutyl 4-(dimethylamino)benzoate
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
2-Methylbutyl 4-(dimethylamino)benzoate25063-23-42-Methylbutyl p-dimethylaminobenzoateU8O635ORM5UNII-U8O635ORM5EINECS 246-594-7SCHEMBL12363625DTXSID60947922DDFJYMPPPJNZME-UHFFFAOYSA-NNS00050277(+/-)-2-METHYLBUTYL P-DIMETHYLAMINOBENZOATEQ27290897
Show more names
4-(Dimethylamino)benzoic acid 2-methylbutyl esterBenzoic acid, 4-(dimethylamino)-, 2-methylbutyl ester
Database identifiers
- CAS
25063-23-4- PubChem CID
- 90704
- DTXSID
DTXSID60947922- UNII
- U8O635ORM5
- EC Number
- 246-594-7
- Nikkaji
- J236.042J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- FDA UNII
- 8 O635ORM5 · U8O635ORM5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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