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CAS No.: | 218594-15-1 |
---|---|
Name: | 2-BROMO-5-(TERT-BUTOXYCARBONYLAMINO)PYRIDINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H13BrN2O2 |
Molecular Weight: | 273.129 |
Synonyms: | 2-Bromo-5-boc-aminopyridine;tert-Butyl(6-bromopyridin-3-yl)carbamate; |
Density: | 1.454 g/cm3 |
Melting Point: | 124-126°C |
Boiling Point: | 300.96 °C at 760 mmHg |
Flash Point: | 135.816 °C |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 51.22000 |
LogP: | 3.26410 |
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The Carbamic acid,(6-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI), with CAS registry number 218594-15-1, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)Pyridines. It has the systematic name of tert-butyl (6-bromopyridin-3-yl)carbamate. And the chemical formula of this chemical is C10H13BrN2O2.
Physical properties of Carbamic acid,(6-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI): (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 61.91 cm3; (9)Molar Volume: 187.8 cm3; (10)Polarizability: 24.54×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.453 g/cm3; (13)Flash Point: 135.8 °C; (14)Enthalpy of Vaporization: 54.11 kJ/mol; (15)Boiling Point: 301 °C at 760 mmHg; (16)Vapour Pressure: 0.00109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncc(NC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(3)InChIKey: LSFAQGJWQMNXLP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(5)Std. InChIKey: LSFAQGJWQMNXLP-UHFFFAOYSA-N