CAS No.77476-95-0,5-Bromo-2-(isopropylamino)pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77476-95-0
Name:	5-Bromo-2-(isopropylamino)pyrimidine
Article Data:	5

Formula:	C₇H₁₀BrN₃
Molecular Weight:	216.08
Synonyms:	-Pyrimidinamine,5-bromo-n-(1-methylethyl)-;(5-Bromopyrimidin-2-yl)isopropylamine;2-Pyrimidinamine, 5-bromo-N-(1-methylethyl)-;5-Bromo-N-isopropylpyrimidin-2-amine;
Density:	1.491 g/cm³
Boiling Point:	289.5 °C at 760 mmHg
Flash Point:	128.9 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	37.81000
LogP:	2.13240

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Specification

The 5-Bromo-2-(isopropylamino)pyrimidine with CAS registry number of 77476-95-0 is also called (5-Bromopyrimidin-2-yl)isopropylamine and 5-Bromo-N-isopropylpyrimidin-2-amine. In addition, the formula is C₇H₁₀BrN₃ and the molecular weight is 216.08.

Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.48; (6)ACD/BCF (pH 7.4): 15.5; (7)ACD/KOC (pH 5.5): 247.22; (8)ACD/KOC (pH 7.4): 247.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.81 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 48.95 cm³; (15)Molar Volume: 144.9 cm³; (16)Polarizability: 19.4 ×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.491 g/cm³; (19)Flash Point: 128.9 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 289.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Nc1ncc(Br)cn1
(2)InChI: InChI=1/C7H10BrN3/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3,(H,9,10,11)
(3)InChIKey: ZJQAKBVJJMKLEX-UHFFFAOYAB