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| CAS No.: | 183741-80-2 |
|---|---|
| Name: | TERT-BUTYL-N-(6-METHOXY-3-PYRIDYL)CARBAMATE |
| Molecular Structure: | |
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| Formula: | C11H16N2O3 |
| Molecular Weight: | 224.2563 |
| Synonyms: | tert-Butyl-n-(6-methoxy-3-pyridyl)carbamate; |
| Density: | 1.146 g/cm3 |
| Boiling Point: | 278.6 °C at 760 mmHg |
| Flash Point: | 122.3 °C |
| PSA: | 60.45000 |
| LogP: | 2.51020 |
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Specification
The Carbamic acid,N-(6-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 183741-80-2, is also known as tert-Butyl-n-(6-methoxy-3-pyridyl)carbamate. This chemical's molecular formula is C11H16N2O3 and molecular weight is 224.2563. What's more, its systematic name is tert-Butyl (6-methoxypyridin-3-yl)carbamate.
Physical properties about Carbamic acid,N-(6-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.7; (6)ACD/BCF (pH 7.4): 13.79; (7)ACD/KOC (pH 5.5): 226.16; (8)ACD/KOC (pH 7.4): 227.7; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.66 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 60.9 cm3; (15)Molar Volume: 195.6 cm3; (16)Polarizability: 24.14×10-24 cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 278.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00422 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)Nc1cnc(OC)cc1
(2) InChI: InChI=1/C11H16N2O3/c1-11(2,3)16-10(14)13-8-5-6-9(15-4)12-7-8/h5-7H,1-4H3,(H,13,14)
(3) InChIKey: BQBSTIXIDDRDHH-UHFFFAOYAP