5-Aminopyrimidine supplier

Name
5-AMINOPYRIMIDINE
EINECS
CAS No. 591-55-9
Article Data18
CAS DataBase
Density 1.217 g/cm³
Solubility
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
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Aminopyrimidine;
PSA 51.80000
LogP 0.64000

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

Product Name

5-AMINOPYRIMIDINE

5-Aminopyrimidine Specification

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