4-Butylpyridine
Basic information
- CAS
5335-75-1- Standard SMILES
CCCCc1ccncc1- InChIKey
LWMDPZVQAMQFOC-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Overview
4-butylpyridine has been reported in Mentha arvensis with data available.
Names & identifiers
- Preferred name
- 4-Butylpyridine
- IUPAC
- 4-butylpyridine
- English name
- 4-Butyl pyridine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
4-Butylpyridine5335-75-1Pyridine, 4-butyl-4-Butyl pyridinePyridine, 4-n-butylUNII-84YCH4G36W84YCH4G36WNSC-970DTXSID60201511NSC 970RefChem:98258DTXCID90124002
Show more names
Tirofiban Hydrochloride Impurity 141
LWMDPZVQAMQFOC-UHFFFAOYSA-N4-n-butylpyridineMFCD001290154-butyl-pyridineNSC9704-Butyl pyirdineSCHEMBL294392SCHEMBL346623
Database identifiers
- CAS
5335-75-1- PubChem CID
- 138459
- DTXSID
DTXSID60201511- UNII
- 84YCH4G36W
- Nikkaji
- J191.624F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP3.13
Physicochemical properties
- Melting point
- 31.33 °C · 31.33°C (estimate)
- Boiling point
- 203.93 °C · 203.93°C (estimate)
- Density
- 0.9157 · 0.9157
- refractive index
- 1.4946 · 1.4946
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6.04 · 6.04±0.10(Predicted)
- LogP
- 3.13 · 3.130
- FDA UNII
- 84 YCH4G36W · 84YCH4G36W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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