5-Pyrimidinamine,4-bromo- supplier

Name
5-AMINO-4-BROMOPYRIMIDINE
EINECS
CAS No. 849353-34-0
Article Data3
CAS DataBase
Density 1.844 g/cm³
Solubility
Melting Point
Formula C₄H₄BrN₃
Boiling Point 282.2 °C at 760 mmHg
Molecular Weight 174
Flash Point 124.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-4-bromopyrimidine;
PSA 51.80000
LogP 1.40250

5-Pyrimidinamine,4-bromo- Specification

The 5-Pyrimidinamine,4-bromo-, with the CAS registry number 849353-34-0, is also known as 5-Amino-4-bromopyrimidine. This chemical's molecular formula is C₄H₄BrN₃ and molecular weight is 174. What's more, its systematic name is called 4-Bromopyrimidin-5-amine.

Physical properties about 5-Pyrimidinamine,4-bromo- are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.22; (5) ACD/KOC (pH 7.4): 15.22; (6) #H bond acceptors: 3; (7) #H bond donors: 2; (8) #Freely Rotating Bonds: 1; (9) Polar Surface Area: 51.8 Å²; (10) Index of Refraction: 1.648; (11) Molar Refractivity: 34.36 cm³; (12) Molar Volume: 94.3 cm³; (13) Surface Tension: 68.9 dyne/cm; (14) Density: 1.844 g/cm³; (15) Flash Point: 124.5 °C; (16) Enthalpy of Vaporization: 52.1 kJ/mol; (17) Boiling Point: 282.2 °C at 760 mmHg; (18) Vapour Pressure: 0.00341 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(ncn1)Br)N
(2) InChI: InChI=1/C4H4BrN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
(3) InChIKey: NXYSMLJPDPVHOE-UHFFFAOYAQ

Product Name

5-AMINO-4-BROMOPYRIMIDINE

5-Pyrimidinamine,4-bromo- Specification

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