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5-Aminopyrimidine

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Name

5-Aminopyrimidine

EINECS N/A
CAS No. 591-55-9 Density 1.217 g/cm3
PSA 51.80000 LogP 0.64000
Solubility N/A Melting Point 171°C(lit.)
Formula C4H5N3 Boiling Point 240.721 °C at 760 mmHg
Molecular Weight 95.1038 Flash Point 122.563 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 591-55-9 (5-AMINOPYRIMIDINE) Hazard Symbols IrritantXi
Synonyms

5-Aminopyrimidine;

Article Data 18

5-Aminopyrimidine Specification

The IUPAC name of this chemical is pyrimidin-5-amine. With the CAS registry number 591-55-9, it is also named as 5-Aminopyrimidine. The product's category is Pyrimidine. The formula is C4H5N3 and molecular weight is 95.1026. In additioan, this chemical is white solid which is used as pharmaceutical intermediate.  

The other characteristics of Pyrimidin-5-amine can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 21.095; (4)ACD/KOC (pH 7.4): 21.124; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.8 Å2; (9)Index of Refraction: 1.598; (10)Molar Refractivity: 26.671 cm3; (11)Molar Volume: 78.161 cm3; (12)Polarizability: 10.573×10-24 cm3; (13)Surface Tension: 64.384 dyne/cm; (14)Enthalpy of Vaporization: 47.765 kJ/mol; (15)Vapour Pressure: 0.037 mmHg at 25°C; (16)Exact Mass: 95.048347; (17)MonoIsotopic Mass: 95.048347; (18)Topological Polar Surface Area: 51.8; (19)Heavy Atom Count: 7; (20)Complexity: 48.9.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c(cncn1)N
2. InChI:InChI=1/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2 
3. InChIKey:FVLAYJRLBLHIPV-UHFFFAOYAY
4. Std. InChI:InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
5. Std. InChIKey:FVLAYJRLBLHIPV-UHFFFAOYSA-N

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