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CAS No.: | 73576-32-6 |
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Name: | 2-AMINO-4-HYDROXY-6-ISOPROPYLPYRIMIDINE |
Molecular Structure: | |
Formula: | C7H11N3O |
Molecular Weight: | 153.184 |
Synonyms: | 4(1H)-Pyrimidinone, 2-amino-6-(1-methylethyl)- (9CI);2-Amino-6-isopropylpyrimidin-4-ol; |
Density: | 1.209 g/cm3 |
Melting Point: | 246-248 °C(Solv: water (7732-18-5); ethanol (64-17-5)) |
Boiling Point: | 371.7 °C at 760 mmHg |
Flash Point: | 178.6 °C |
PSA: | 72.03000 |
LogP: | 1.46900 |
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This chemical is called 2-Amino-4-hydroxy-6-isopropylpyrimidine, and its systematic name is 2-amino-6-(propan-2-yl)pyrimidin-4-ol. With the molecular formula of C7H11N3O, its molecular weight is 153.18. The CAS registry number of this chemical is 73576-32-6. Additionally, its Product Category is Isopropyl.
Other characteristics of the 2-Amino-4-hydroxy-6-isopropylpyrimidine can be summarised as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 72.03 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 42.73 cm3; (13)Molar Volume: 126.6 cm3; (14)Polarizability: 16.94×10-24cm3; (15)Surface Tension: 59.2 dyne/cm; (16)Density: 1.209 g/cm3; (17)Flash Point: 178.6 °C; (18)Enthalpy of Vaporization: 64.31 kJ/mol; (19)Boiling Point: 371.7 °C at 760 mmHg; (20)Vapour Pressure: 4.73E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)c1cc(O)nc(N)n1
2.InChI: InChI=1/C7H11N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h3-4H,1-2H3,(H3,8,9,10,11)
3.InChIKey: MNIKKPHWWBUBCL-UHFFFAOYAX