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Name |
4(3H)-Pyrimidinone, 2-amino-6-(hydroxymethyl)- |
EINECS | N/A |
CAS No. | 253340-48-6 | Density | 1.65 g/cm3 |
PSA | 92.00000 | LogP | -0.57440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7N3O2 | Boiling Point | 360.7 °C at 760 mmHg |
Molecular Weight | 141.13 | Flash Point | 171.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone,2-amino-6-(hydroxymethyl)- (9CI); |
This chemical is called 4(3H)-Pyrimidinone, 2-amino-6-(hydroxymethyl)-, and its systematic name is 2-Amino-6-(hydroxymethyl)pyrimidin-4(1H)-one. With the molecular formula of C5H7N3O2, its molecular weight is 141.13. The CAS registry number of this chemical is 253340-48-6. Additionally, its product categories are Aldehyde; Pyrimidine.
Other characteristics of the 4(3H)-Pyrimidinone, 2-amino-6-(hydroxymethyl)- can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.96; (4)ACD/KOC (pH 7.4): 8.84; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 87.71 Å2; (9)Index of Refraction: 1.696; (10)Molar Refractivity: 32.76 cm3; (11)Molar Volume: 85.1 cm3; (12)Polarizability: 12.98×10-24cm3; (13)Surface Tension: 75.1 dyne/cm; (14)Density: 1.65 g/cm3; (15)Flash Point: 171.9 °C; (16)Enthalpy of Vaporization: 70.19 kJ/mol; (17)Boiling Point: 360.7 °C at 760 mmHg; (18)Vapour Pressure: 1.17E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c([nH]c(nc1=O)N)CO
2.InChI: InChI=1/C5H7N3O2/c6-5-7-3(2-9)1-4(10)8-5/h1,9H,2H2,(H3,6,7,8,10)
3.InChIKey: IPINWIPSUBSTMZ-UHFFFAOYAB