2-(2,2-Dimethyl-propionylamino)-isonicotinamide - CAS 470463-37-7
Catalog: |
BB026204 |
Product Name: |
2-(2,2-Dimethyl-propionylamino)-isonicotinamide |
CAS: |
470463-37-7 |
Synonyms: |
2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide |
IUPAC Name: | 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide |
Description: | 2-(2,2-Dimethyl-propionylamino)-isonicotinamide (CAS# 470463-37-7) is a useful research chemical. |
Molecular Weight: | 221.26 |
Molecular Formula: | C11H15N3O2 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)N |
InChI: | InChI=1S/C11H15N3O2/c1-11(2,3)10(16)14-8-6-7(9(12)15)4-5-13-8/h4-6H,1-3H3,(H2,12,15)(H,13,14,16) |
InChI Key: | ZBCDVWVOQORNCR-UHFFFAOYSA-N |
Boiling Point: | 463.3 °C at 760 mmHg |
Density: | 1.202 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD04039861 |
LogP: | 1.93840 |
Publication Number | Title | Priority Date |
US-2017029416-A1 | Sweet flavor modifier | 20130219 |
US-9695162-B2 | Sweet flavor modifier | 20130219 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.11642673 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 85.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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