2-Pyrimidinamine,5-ethoxy- supplier

Name
2-Pyrimidinamine, 5-ethoxy- (9CI)
EINECS 205-525-8
CAS No. 39268-74-1
Article Data5
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₆H₉N₃O
Boiling Point 316.88 °C at 760 mmHg
Molecular Weight 139.157
Flash Point 145.444 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine,2-amino-5-ethoxy- (6CI,7CI);2-Amino-5-ethoxypyrimidine;5-Ethoxy-2-pyrimidinamine;
PSA 61.03000
LogP 1.03870

2-Pyrimidinamine,5-ethoxy- Specification

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

Product Name

2-Pyrimidinamine, 5-ethoxy- (9CI)

2-Pyrimidinamine,5-ethoxy- Specification

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