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CAS No.: | 952024-31-6 |
---|---|
Name: | N-[(3-Benzyloxypyridin-2-yl)methyl]formamide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H14N2O2 |
Molecular Weight: | 242.277 |
Synonyms: | Formamide,N-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-; |
Density: | 1.174 g/cm3 |
Boiling Point: | 467.093 °C at 760 mmHg |
Flash Point: | 236.289 °C |
PSA: | 51.22000 |
LogP: | 2.93340 |
formic acid
C-(3-benzyloxypyridin-2-yl)methylamine
N-(3-benzyloxypyridin-2-ylmethyl)formamide
Conditions | Yield |
---|---|
for 3h; Heating / reflux; Neat (no solvent); | 99% |
for 3h; Heating / reflux; | 99% |
N-(3-benzyloxypyridin-2-ylmethyl)formamide
Conditions | Yield |
---|---|
With trichlorophosphate for 1.5h; Heating / reflux; | 67% |
With trichlorophosphate In toluene for 1.5h; Heating / reflux; | 67% |
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The N-[(3-Benzyloxypyridin-2-yl)methyl]formamide, with the CAS registry number of 952024-31-6, is also known as Formamide,N-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-. It belongs to the product category of API intermediates. This chemical's molecular formula is C14H14N2O2 and molecular weight is 242.28. What's more, both its systematic name and IUPAC name are the same which is called N-[(3-Phenylmethoxypyridin-2-yl)methyl]formamide.
Physical properties about the N-[(3-Benzyloxypyridin-2-yl)methyl]formamide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22.07; (5)ACD/KOC (pH 7.4): 22.274; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 51.22 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 68.841 cm3; (12)Molar Volume: 206.313 cm3; (13)Surface Tension: 48.222 dyne/cm; (14)Density: 1.174 g/cm3; (15)Flash Point: 236.289 °C; (16)Enthalpy of Vaporization: 72.901 kJ/mol; (17)Boiling Point: 467.093 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:c1ccc(cc1)COc2cccnc2CNC=O
(2) InChI:InChI=1/C14H14N2O2/c17-11-15-9-13-14(7-4-8-16-13)18-10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
(3) InChIKey:LGCQBSYMPVEUIB-UHFFFAOYAE