Basic information
- CAS
6279-54-5- Standard SMILES
CCCCOC(=O)c1ccc(O)c(CN(C)C)c1- InChIKey
PYUBXKHAWDQIDA-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid
- IUPAC
- butyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate
Names & synonyms
6279-54-5Butyl 3-((dimethylamino)methyl)-4-hydroxybenzoateNSC 11380BRN 2981871EJ6Z67N2X1NSC-11380BENZOIC ACID, 3-((DIMETHYLAMINO)METHYL)-4-HYDROXY, BUTYL ESTERUNII-EJ6Z67N2X1BUTYL 3-[(DIMETHYLAMINO)METHYL]-4-HYDROXYBENZOATEDTXSID902118653-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid4,3-CRESOTIC ACID, .ALPHA.-(DIMETHYLAMINO)-, BUTYL ESTER
Show more names
RefChem:198160DTXCID201343564,3-CRESOTIC ACID, ALPHA-(DIMETHYLAMINO)-, BUTYL ESTERNSC11380
Database identifiers
- CAS
6279-54-5- PubChem CID
- 22677
- DTXSID
DTXSID90211865- UNII
- EJ6Z67N2X1
- Nikkaji
- J83.368A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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