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| CAS No.: | 86847-64-5 |
|---|---|
| Name: | N-(3-FORMYL-2-PYRIDINYL)-2,2-DIMETHYLPROPANAMIDE |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H14 N2 O2 |
| Molecular Weight: | 206.244 |
| Synonyms: | N-(3-Formylpyridin-2-yl)-2,2-dimethylpropanamide;N-(3-Formylpyridin-2-yl)-2,2-dimethylpropionamide |
| Density: | 1.165 g/cm3 |
| Melting Point: | 85-88°C |
| Boiling Point: | 406.1 °C at 760 mmHg |
| Flash Point: | 199.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38-43 |
| Safety: | S26-36/37/39 |
| PSA: | 59.06000 |
| LogP: | 1.95170 |
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- Total:35 Page 1 of 1 1
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Chemistry
Molecule structure of N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (CAS NO.86847-64-5):
IUPAC Name: N-(3-Formylpyridin-2-yl)-2,2-dimethylpropanamide
Molecular Weight: 206.24106 [g/mol]
Molecular Formula: C11H14N2O2
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 6
Exact Mass: 206.105528
MonoIsotopic Mass: 206.105528
Topological Polar Surface Area: 59.1
Heavy Atom Count: 15
Index of Refraction: 1.584
Molar Refractivity: 59.23 cm3
Molar Volume: 176.9 cm3
Polarizability: 23.48×10-24cm3
Surface Tension: 47.5 dyne/cm
Density: 1.165 g/cm3
Melting Point: 85-88°C
Flash Point: 199.4 °C
Enthalpy of Vaporization: 65.78 kJ/mol
Boiling Point: 406.1 °C at 760 mmHg
Vapour Pressure: 8.35E-07 mmHg at 25 °C
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)
InChIKey: ANABHCSYKASRRW-UHFFFAOYSA-N
Product Categories of N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (CAS NO.86847-64-5): Pyridine; Pyridines; C9 to C46; Heterocyclic Building Blocks
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-43
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Safety Statements: 26-36/37
R26:Very toxic by inhalation.
R36/37:Irritating to eyes and respiratory system.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (CAS NO.86847-64-5) is also called 2-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyde ; N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide ; N-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamide ; N-(3-Formyl-2-pyridinyl)- tert-butanamide ; 2-(2,2,2-Trimethylacetamido)pyridine-3-carboxaldehyde .