| CAS Number | 123811-75-6 |
| Catalog Number | AG000L4G(AGN-PC-0WAMC9) |
| Chemical Name | 4-(Tert-Butyl)Picolinic Acid Hydrochloride |
| IUPAC Name | 4-tert-butylpyridine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-10(2,3)7-4-5-11-8(6-7)9(12)13;/h4-6H,1-3H3,(H,12,13);1H |
| InChI Key | XPWCKHRFHCBIJA-UHFFFAOYSA-N |
| MDL Number | MFCD19690370 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | O=C(O)C1=NC=CC(C(C)(C)C)=C1.[H]Cl |
| Synonyms | 4-(tert-Butyl)picolinic acid hydrochloride,
123811-75-6,
AK174103,
SCHEMBL3190585,
XPWCKHRFHCBIJA-UHFFFAOYSA-N,
KS-00000T3B,
MFCD19690370,
AKOS025395565,
DS-8590,
AX8270637,
4-tert-butylpyridine-2-carboxylic acid;hydrochloride,
4-tert-butyl-pyridine-2-carboxylic acid hydrochloride,
2-Pyridinecarboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1),
|
| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number