CAS No.3435-27-6,4-AMINO-6-TERT-BUTYLPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3435-27-6
Name:	4-AMINO-6-TERT-BUTYLPYRIMIDINE
Article Data:	5

Formula:	C₈H₁₃N₃
Molecular Weight:	151.211
Synonyms:	Pyrimidine,4-amino-6-tert-butyl- (7CI,8CI);
Density:	1.043 g/cm³
Boiling Point:	268 °C at 760 mmHg
Flash Point:	140 °C
PSA:	51.80000
LogP:	1.93750

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Specification

The 4-Pyrimidinamine, 6-(1, 1-dimethylethyl)-, with the CAS registry number of 3435-27-6, is also known as 6-tert-Butyl-4-yrimidinamine and 6-tert-Butyl-pyrimidin-4-ylamine. This chemical's molecular formula is C₈H₁₃N₃ and molecular weight is 151.21. What's more, its systematic name is called 6-tert-Butylpyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine, 6-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 6.92; (7)ACD/KOC (pH 5.5): 27.46; (8)ACD/KOC (pH 7.4): 136.92; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 144.8 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.043 g/cm³; (18)Flash Point: 140 °C; (19)Enthalpy of Vaporization: 50.61 kJ/mol; (20)Boiling Point: 268 °C at 760 mmHg; (21)Vapour Pressure: 0.00787 mmHg at 25 °C.

Preparation: this chemical is prepared by 4-tert-Butyl-pyrimidine. The reaction needs reagent KNH₂ and solvent liquid Ammonia. The yield is about 40 %.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(cc(nc1)N)C(C)(C)C
(2) InChI: InChI=1/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11)
(3) InChIKey: GVFMWHPJTZVYIF-UHFFFAOYAE