2-(2,2-Dimethyl-propionylamino)-nicotinic acid - CAS 125867-25-6
Catalog: |
BB006277 |
Product Name: |
2-(2,2-Dimethyl-propionylamino)-nicotinic acid |
CAS: |
125867-25-6 |
Synonyms: |
2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid |
IUPAC Name: | 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid |
Description: | 2-(2,2-Dimethyl-propionylamino)-nicotinic acid (CAS# 125867-25-6) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)O |
InChI: | InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16) |
InChI Key: | KXLOGMIKCNUSNG-UHFFFAOYSA-N |
Boiling Point: | 449.6 ℃ at 760 mmHg |
Melting Point: | 280 ℃ |
Purity: | 95 % |
Density: | 1.249 g/cm3 |
MDL: | MFCD03659710 |
LogP: | 1.83740 |
Publication Number | Title | Priority Date |
EP-3362436-A1 | Process for the catalytic directed cleavage of amide-containing compounds | 20150914 |
WO-2017046133-A1 | Process for the catalytic directed cleavage of amide-containing compounds | 20150914 |
EP-3362436-B1 | Process for the catalytic directed cleavage of amide-containing compounds | 20150914 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.10044231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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