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CAS No.: | 39268-74-1 |
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Name: | 2-Pyrimidinamine, 5-ethoxy- (9CI) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H9N3O |
Molecular Weight: | 139.157 |
Synonyms: | Pyrimidine,2-amino-5-ethoxy- (6CI,7CI);2-Amino-5-ethoxypyrimidine;5-Ethoxy-2-pyrimidinamine; |
EINECS: | 205-525-8 |
Density: | 1.173 g/cm3 |
Boiling Point: | 316.88 °C at 760 mmHg |
Flash Point: | 145.444 °C |
PSA: | 61.03000 |
LogP: | 1.03870 |
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The 2-Pyrimidinamine,5-ethoxy-, with CAS registry number 39268-74-1, belongs to the following product category: Pyrimidine. It has the systematic name of 5-ethoxypyrimidin-2-amine. Besides this, it is also called 5-Ethoxy-2-Aminopyrimidine. And the chemical formula of this chemical is C6H9N3O.
Physical properties of 2-Pyrimidinamine,5-ethoxy-: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.401; (4)ACD/LogD (pH 7.4): 0.408; (5)ACD/BCF (pH 5.5): 1.184; (6)ACD/BCF (pH 7.4): 1.203; (7)ACD/KOC (pH 5.5): 39.098; (8)ACD/KOC (pH 7.4): 39.718; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.983 cm3; (15)Molar Volume: 118.67 cm3; (16)Polarizability: 15.058×10-24cm3; (17)Surface Tension: 51.471 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 145.444 °C; (20)Enthalpy of Vaporization: 55.825 kJ/mol; (21)Boiling Point: 316.88 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cnc(nc1)N
(2)InChI: InChI=1/C6H9N3O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
(3)InChIKey: NGWGYIGTWBAKAN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H9N3O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
(5)Std. InChIKey: NGWGYIGTWBAKAN-UHFFFAOYSA-N