2-Pyridinylmethyl butyrate
Basic information
- CAS
74050-93-4- Standard SMILES
CCCC(=O)OCc1ccccn1- InChIKey
VTMMEMGFKVSPFG-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Pyridinylmethyl butyrate
- IUPAC
- pyridin-2-ylmethyl butanoate
- English name
- 2-Pyridinemethanol=butyrate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
2-Pyridinemethanol, butyrate2-ButyroxymethylpyridineButanoic acid, 2-pyridinylmethyl ester2-Pyridinylmethyl butyrate4CPC3QLV2SNSC 220045UNII-4CPC3QLV2SNSC-220045DTXSID20224948BUTYRIC ACID, 2-PYRIDYLMETHYL ESTERRefChem:197945DTXCID50147439
Show more names
2-Pyridinemethanol=butyrate
Butanoic acid, 2-pyridinylmethyl ester (9CI)74050-93-4(pyridin-2-yl)methyl butanoateWLN: T6NJ B1OV3NSC220045
Database identifiers
- CAS
74050-93-4- PubChem CID
- 99347
- DTXSID
DTXSID20224948- UNII
- 4CPC3QLV2S
- Nikkaji
- J85.692D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- FDA UNII
- 4 CPC3QLV2S · 4CPC3QLV2S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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