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| CAS No.: | 34654-80-3 |
|---|---|
| Name: | 4-(3-Hydroxypropylamino)-1,3-dimethyluracil |
| Molecular Structure: | |
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| Formula: | C9H15N3O3 |
| Molecular Weight: | 213.236 |
| Synonyms: | 1,3-Dimethyl-4-(g-hydroxypropylamino)uracil; |
| EINECS: | 252-128-3 |
| Density: | 1.295 g/cm3 |
| Melting Point: | 148-150 °C |
| Boiling Point: | 367.5 °C at 760 mmHg |
| Flash Point: | 176.1 °C |
| PSA: | 76.26000 |
| LogP: | -1.04870 |
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Specification
The 4-(3-Hydroxypropylamino)-1,3-dimethyluracil is an organic compound with the formula C9H15N3O3. The systematic name of this chemical is 6-[(3-hydroxypropyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. With the CAS registry number 34654-80-3, it is also named as 1,3-Dimethyl-4-(g-hydroxypropylamino)uracil.
Physical properties about 4-(3-Hydroxypropylamino)-1,3-dimethyluracil are: (1)ACD/LogP: 0.01 ; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 53.09 Å2; (6)Index of Refraction: 1.576; (7)Molar Refractivity: 54.53 cm3; (8)Molar Volume: 164.6 cm3; (9)Polarizability: 21.61×10-24cm3; (10)Surface Tension: 57.2 dyne/cm; (11)Density: 1.29 g/cm3; (12)Flash Point: 176.1 °C; (13)Enthalpy of Vaporization: 71.06 kJ/mol; (14)Boiling Point: 367.5 °C at 760 mmHg; (15)Vapour Pressure: 6.78E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(/C(=C\C(=O)N1C)NCCCO)C
(2)InChI: InChI=1/C9H15N3O3/c1-11-7(10-4-3-5-13)6-8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3
(3)InChIKey: PBIJDBVKVFZACL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H15N3O3/c1-11-7(10-4-3-5-13)6-8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3
(5)Std. InChIKey: PBIJDBVKVFZACL-UHFFFAOYSA-N