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CAS No.: | 562074-43-5 |
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Name: | 2-(BOC-AMINO)-5-PICOLINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H16N2O2 |
Molecular Weight: | 208.26 |
Synonyms: | Carbamicacid, (5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI); |
Density: | 1.108 g/cm3 |
Boiling Point: | 273.7 °C at 760 mmHg |
Flash Point: | 119.3 °C |
PSA: | 51.22000 |
LogP: | 2.81000 |
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The Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 562074-43-5, is also known as 2-(Boc-amino)-5-picoline. It belongs to the product category of N-BOC. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.2569. What's more, its systematic name is called tert-Butyl (5-methylpyridin-2-yl)carbamate.
Physical properties about Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 20.51; (6)ACD/BCF (pH 7.4): 23.46; (7)ACD/KOC (pH 5.5): 290.95; (8)ACD/KOC (pH 7.4): 332.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.22 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 59.05 cm3; (15)Molar Volume: 187.9 cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.108 g/cm3; (18)Flash Point: 119.3 °C; (19)Enthalpy of Vaporization: 51.2 kJ/mol; (20)Boiling Point: 273.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00565 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)Nc1ccc(C)cn1
(2) InChI: InChI=1/C11H16N2O2/c1-8-5-6-9(12-7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
(3) InChIKey: QSGRLGXFSNTKDV-UHFFFAOYAN