N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide - CAS 86847-64-5
Catalog: |
BB038087 |
Product Name: |
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide |
CAS: |
86847-64-5 |
Synonyms: |
N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide |
IUPAC Name: | N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide |
Description: | N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide (CAS# 86847-64-5) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C11H14N2O2 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=C(C=CC=N1)C=O |
InChI: | InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15) |
InChI Key: | ANABHCSYKASRRW-UHFFFAOYSA-N |
Boiling Point: | 406.1 °C at 760 mmHg |
Melting Point: | 85 °C |
Purity: | 95 % |
Density: | 1.165 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD01830170 |
LogP: | 1.95170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2976369-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
EP-3267794-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-10336721-B2 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-2018179176-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-2019276425-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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