Basic information
- CAS
191478-92-9- Standard SMILES
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)n1- InChIKey
BWHIWEBPMRLTOT-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2,6-Di-tert-butylisonicotinic acid
- IUPAC
- 2,6-ditert-butylpyridine-4-carboxylic acid
- English name
- 2,6-Bis(tert-butyl)pyridine-4-carboxylic acid, 2,6-Bis(tert-butyl)-4-carboxypyridine
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
2,6-Di-tert-butylisonicotinic acid191478-92-92,6-Bis(tert-butyl)isonicotinic acid2,6-ditert-butylpyridine-4-carboxylic Acid2,6-bis(tert-butyl)pyridine-4-carboxylic acid2,6-di-tert-butylpyridine-4-carboxylic acidSCHEMBL66740592,6-Di-t-butylisonicotinic acidDTXSID20406101BWHIWEBPMRLTOT-UHFFFAOYSA-N2,6-Di-tert-butylisonicotinicacidMFCD06496458
Show more names
4-Pyridinecarboxylic acid, 2,6-bis(1,1-dimethylethyl)-2,6-Bis(tert-butyl)pyridine-4-carboxylic acid, 2,6-Bis(tert-butyl)-4-carboxypyridine
SBB039018AKOS000267383CS-0336652ST451746942,6-Bis(2-methyl-2-propanyl)isonicotinic acidG87989
Database identifiers
- CAS
191478-92-9- PubChem CID
- 4736941
- DTXSID
DTXSID20406101
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 354.1 · 354.1±42.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 2.15 · 2.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2933399990 · 2933399990
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+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers8 total
郑州汇聚化工有限公司13393710386 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
14 records
Compound notes
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