3,5-Dibutylpyridine
Basic information
- CAS
139-83-3- Standard SMILES
CCCCc1cncc(CCCC)c1- InChIKey
PJOMZRGTNZQMMB-UHFFFAOYSA-N- Molecular formula
- C13H21N
- Average molar mass
- 191.31 g/mol
- Monoisotopic mass
- 191.16739967
Names & identifiers
- Preferred name
- 3,5-Dibutylpyridine
- IUPAC
- 3,5-dibutylpyridine
Names & synonyms
3,5-Dibutylpyridine139-83-3EINECS 205-375-6DTXSID40160859NSC 60005RefChem:91449DTXCID3083350205-375-6NSC-60005NSC60005Pyridine,5-dibutyl-Pyridine, 3,5-dibutyl-
Show more names
6FBA3WFB83SCHEMBL10807925SCHEMBL15922905PJOMZRGTNZQMMB-UHFFFAOYSA-NAAA13983AKOS006286641NS00024518EN300-303465
Database identifiers
- CAS
139-83-3- PubChem CID
- 67319
- DTXSID
DTXSID40160859- UNII
- 6FBA3WFB83
- EC Number
- 205-375-6
- Nikkaji
- J184.419I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 119
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Related reactions
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Compound notes
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