Basic information
- CAS
140691-67-4- Standard SMILES
CCC(C)CCCc1cccnc1- InChIKey
PGALAANWFGPCEB-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- Pyridine, 3-(4-methylhexyl)
- IUPAC
- 3-(4-methylhexyl)pyridine
Names & synonyms
Pyridine, 3-(4-methylhexyl)3-(4-methylhexyl)pyridine140691-67-43-(4-Methylhexyl)-pyridinSCHEMBL9186292SCHEMBL19670475DTXSID90336163
Database identifiers
- CAS
140691-67-4- PubChem CID
- 529404
- DTXSID
DTXSID90336163
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 122
Related reactions
2 records
Compound notes
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