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5-Bromo-N-(2-methoxyethyl)pyrimidin-2-amine

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Name

5-Bromo-N-(2-methoxyethyl)pyrimidin-2-amine

EINECS N/A
CAS No. 886365-79-3 Density 1.537 g/cm3
PSA 47.04000 LogP 1.37040
Solubility N/A Melting Point N/A
Formula C7H10BrN3O Boiling Point 330.6 °C at 760 mmHg
Molecular Weight 232.08 Flash Point 153.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886365-79-3 ((5-BROMO-PYRIMIDIN-2-YL)-(2-METHOXY-ETHYL)-AMINE) Hazard Symbols N/A
Synonyms

2-pyrimidinamine, 5-bromo-N-(2-methoxyethyl)-;

 

5-Bromo-N-(2-methoxyethyl)pyrimidin-2-amine Specification

This chemical is called 5-Bromo-N-(2-methoxyethyl)pyrimidin-2-amine, and it can also be named as 2-pyrimidinamine, 5-bromo-N-(2-methoxyethyl)-. With the molecular formula of C7H10BrN3O, its molecular weight is 232.08. The CAS registry number of this chemical is 886365-79-3.

Other characteristics of the 5-Bromo-N-(2-methoxyethyl)pyrimidin-2-amine can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.39; (6)ACD/BCF (pH 7.4): 3.39; (7)ACD/KOC (pH 5.5): 83.35; (8)ACD/KOC (pH 7.4): 83.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.25 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 50.74 cm3; (15)Molar Volume: 150.8 cm3; (16)Polarizability: 20.11×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.537 g/cm3; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 57.32 kJ/mol; (21)Boiling Point: 330.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000164 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cnc(nc1)NCCOC
(2)InChI: InChI=1/C7H10BrN3O/c1-12-3-2-9-7-10-4-6(8)5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)
(3)InChIKey: HIDHZHFCKYPDIW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H10BrN3O/c1-12-3-2-9-7-10-4-6(8)5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)
(5)Std. InChIKey: HIDHZHFCKYPDIW-UHFFFAOYSA-N

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