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183741-80-2

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Basic Information
CAS No.: 183741-80-2
Name: TERT-BUTYL-N-(6-METHOXY-3-PYRIDYL)CARBAMATE
Article Data: 11
Molecular Structure:
Molecular Structure of 183741-80-2 (TERT-BUTYL-N-(6-METHOXY-3-PYRIDYL)CARBAMATE)
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