| CAS Number | 1909315-98-5 |
| Catalog Number | AG01C1T2 |
| Chemical Name | 4-Tert-butylpyridine-3-carboxylic acid hydrochloride |
| IUPAC Name | 4-tert-butylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-10(2,3)8-4-5-11-6-7(8)9(12)13;/h4-6H,1-3H3,(H,12,13);1H |
| InChI Key | YPWVLZIDGWAUID-UHFFFAOYSA-N |
| MDL Number | MFCD29047442 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CC(C1=C(C(O)=O)C=NC=C1)(C)C |
| Synonyms | 4-tert-butylpyridine-3-carboxylic acid hydrochloride,
1909315-98-5,
AKOS027201060,
Z2301499912,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number