Basic information
- CAS
101952-76-5- Standard SMILES
O=C(OCCCCOC(=O)c1cccnc1)c1cccnc1- InChIKey
PPJDCSQLKYABRQ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- Nicotinic acid, tetramethylene ester
- IUPAC
- 4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate
- English name
- 4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate
- Molecular formula
- C16H16N2O4
- Molecular weight
- 300.31
Names & synonyms
101952-76-5NICOTINIC ACID, TETRAMETHYLENE ESTERDTXSID30144426RefChem:1092407DTXCID40669174-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylateTetramethylene nicotinateBRN 0280495Butane-1,4-diyl dinicotinateSCHEMBL21243071Butane-1,4-diyl dipyridine-3-carboxylateButane-1,4-diyl bis(pyridine-3-carboxylate)
Show more names
3-Pyridinecarboxylic acid, 3,3'-(1,4-butanediyl) ester
Database identifiers
- CAS
101952-76-5- PubChem CID
- 59189
- DTXSID
DTXSID30144426- Nikkaji
- J68.325F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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