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CAS No.: | 959237-20-8 |
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Name: | 6-Bromo-2-cyclopropylaminopyridine |
Molecular Structure: | |
Formula: | C8H9BrN2 |
Molecular Weight: | 213.1 |
Synonyms: | 6-Bromo-2-cyclopropylaminopyridine; |
Density: | 1.67 g/cm3 |
Boiling Point: | 318.298 °C at 760 mmHg |
Flash Point: | 146.302 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 24.92000 |
LogP: | 2.49140 |
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The 6-Bromo-N-cyclopropyl-2-pyridinamine, with the CAS registry number 959237-20-8, is also known as 6-Bromo-2-cyclopropylaminopyridine. This chemical's molecular formula is C8H9BrN2 and molecular weight is 213.1. What's more, its systematic name is 6-Bromo-N-cyclopropyl-2-pyridinamine.
Physical properties of 6-Bromo-N-cyclopropyl-2-pyridinamine are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.833; (4)ACD/LogD (pH 7.4): 2.835; (5)ACD/BCF (pH 5.5): 83.71; (6)ACD/BCF (pH 7.4): 84.069; (7)ACD/KOC (pH 5.5): 826.798; (8)ACD/KOC (pH 7.4): 830.346; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 24.92 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 48.843 cm3; (15)Molar Volume: 127.588 cm3; (16)Polarizability: 19.363×10-24 cm3; (17)Surface Tension: 62.085 dyne/cm; (18)Density: 1.67 g/cm3; (19)Flash Point: 146.302 °C; (20) Enthalpy of Vaporization: 55.979 kJ/mol; (21)Boiling Point: 318.298 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N