4(3H)-Pyrimidinone, 2-amino-5-hydroxy- supplier

Name
4(1H)-Pyrimidinone, 2-amino-5-hydroxy- (9CI)
EINECS
CAS No. 40769-68-4
Density 1.84 g/cm³
Solubility
Melting Point >300 °C(Solv: water (7732-18-5))
Formula C₄H₅N₃O₂
Boiling Point 480.3 °C at 760 mmHg
Molecular Weight 127.103
Flash Point 244.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4,5-dihydroxypyrimidine;2-Amino-4,5-pyrimidinediol;5-Hydroxyisocytosine;NSC 95957;4(1H)-Pyrimidinone, 2-amino-5-hydroxy- (9CI);4,5-Pyrimidinediol,2-amino- (6CI,7CI);
PSA 92.00000
LogP -0.36110

4(3H)-Pyrimidinone, 2-amino-5-hydroxy- Specification

The 4(3H)-Pyrimidinone, 2-amino-5-hydroxy-, with the CAS registry number 40769-68-4, is also known as 4(1H)-Pyrimidinone, 2-amino-5-hydroxy- (9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₄H₅N₃O₂ and molecular weight is 127.1014. What's more, its systematic name is called 2-Amino-5-hydroxypyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone, 2-amino-5-hydroxy- are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.14 Å²; (11)Index of Refraction: 1.752; (12)Molar Refractivity: 28.15 cm³; (13)Molar Volume: 68.9 cm³; (14)Surface Tension: 89.4 dyne/cm; (15)Density: 1.84 g/cm³; (16)Flash Point: 244.3 °C; (17)Enthalpy of Vaporization: 77.32 kJ/mol; (18)Boiling Point: 480.3 °C at 760 mmHg; (19)Vapour Pressure: 7.53E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(/O)=C\N=C(\N)N1
(2) InChI: InChI=1/C4H5N3O2/c5-4-6-1-2(8)3(9)7-4/h1,8H,(H3,5,6,7,9)
(3) InChIKey: ZMXIVNPDKWXQBH-UHFFFAOYAO

Product Name

4(1H)-Pyrimidinone, 2-amino-5-hydroxy- (9CI)

4(3H)-Pyrimidinone, 2-amino-5-hydroxy- Specification

Related Products

Hot Products