Molecular properties
- Formula
- C9H13N
- Molar mass
- 135.21 g·mol−1
- Exact mass
- 135.1048 Da
- 4
- PubChem CID
- 19878
Molecule record
4-tert-butylpyridine
C9H13N
135.21 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 223-614-2
- 3978-81-2
- 4-t-butylpyridine
- 4-tert-Butyl-pyridine
- 4-tert-Butylpyridine, 96%
- 4-tert.butylpyridine
- AI3-36657
- AKOS000120207
Show all 24 synonyms
- AS-10326
- B0388
- CHEBI:195158
- CS-W002002
- DTXCID60115346
- DTXSID20192855
- EINECS 223-614-2
- IL8V02163I
- MFCD00006435
- NSC-5104
- NSC5104
- Pyridine, 4-(1,1-dimethylethyl)-
- Pyridine, 4-tert-butyl-
- RefChem:100525
- SY010877
- UNII-IL8V02163I
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccncc1
- Isomeric SMILES
- CC(C)(C)C1=CC=NC=C1
- InChI
- InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
- InChIKey
- YSHMQTRICHYLGF-UHFFFAOYSA-N
- PubChem CID
- 19878
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-tert-butylpyridine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-tert-butylpyridine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.