Basic information
- CAS
13671-63-1- Standard SMILES
CCCC(C)(COC(=O)c1cccnc1)COC(=O)c1cccnc1- InChIKey
XVBCWIBXVAJLPL-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 2-Methyl-2-propylpropane-1,3-diyl dinicotinate
- IUPAC
- [2-methyl-2-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylate
- English name
- 2-methyl-2-propylpropane-1,3-diyl dinicotinate
- Molecular formula
- C19H22N2O4
- Molecular weight
- 342.39
Names & synonyms
2-Methyl-2-propylpropane-1,3-diyl dinicotinate13671-63-1[2-methyl-2-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylateEINECS 237-152-4KM4654RA6WDTXSID90159894XVBCWIBXVAJLPL-UHFFFAOYSA-NNS000244323-Pyridinecarboxylic acid, 2-methyl-2-propyl-1,3-propanediyl ester2-Methyl-2-{[(pyridine-3-carbonyl)oxy]methyl}pentyl pyridine-3-carboxylateBisnicotinic acid 2-methyl-2-propylpropane-1,3-diyl ester3-Pyridinecarboxylic acid, 2-methyl-2-propyl-1,3-propanediyl ester (9CI)
Database identifiers
- CAS
13671-63-1- PubChem CID
- 83644
- DTXSID
DTXSID90159894- UNII
- KM4654RA6W
- EC Number
- 237-152-4
- Nikkaji
- J277.975G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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