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CAS No.: | 22919-46-6 |
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Name: | 1-PROPYLCYTOSINE |
Molecular Structure: | |
Formula: | C7H11N3O |
Molecular Weight: | 153.184 |
Synonyms: | Cytosine,1-propyl- (8CI);1-Propylcytosine;NSC 211606; |
Density: | 1.22 g/cm3 |
Boiling Point: | 269.2 °C at 760 mmHg |
Flash Point: | 116.6 °C |
PSA: | 60.91000 |
LogP: | 0.81670 |
This chemical is called 2(1H)-Pyrimidinone,4-amino-1-propyl-, and its IUPAC name is 4-amino-1-propylpyrimidin-2-one. With the molecular formula of C7H11N3O, its molecular weight is 153.18. The CAS registry number of this chemical is 22919-46-6.
Other characteristics of the 2(1H)-Pyrimidinone,4-amino-1-propyl- can be summarised as followings: (1)ACD/LogP: -0.46; (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): 12.23; (6)ACD/KOC (pH 7.4): 13.39; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 41.84 cm3; (13)Molar Volume: 125.3 cm3; (14)Polarizability: 16.58×10-24cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 116.6 °C; (18)Enthalpy of Vaporization: 50.74 kJ/mol; (19)Boiling Point: 269.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00734 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/N=C(\C=C/N1CCC)N
2.InChI: InChI=1/C7H11N3O/c1-2-4-10-5-3-6(8)9-7(10)11/h3,5H,2,4H2,1H3,(H2,8,9,11)
3.InChIKey: VJRRVOYOJYNVAK-UHFFFAOYAH