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2(1H)-Pyrimidinone,4-amino-1-propyl-

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Name

2(1H)-Pyrimidinone,4-amino-1-propyl-

EINECS N/A
CAS No. 22919-46-6 Density 1.22 g/cm3
PSA 60.91000 LogP 0.81670
Solubility N/A Melting Point N/A
Formula C7H11N3O Boiling Point 269.2 °C at 760 mmHg
Molecular Weight 153.184 Flash Point 116.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22919-46-6 (1-PROPYLCYTOSINE) Hazard Symbols N/A
Synonyms

Cytosine,1-propyl- (8CI);1-Propylcytosine;NSC 211606;

 

2(1H)-Pyrimidinone,4-amino-1-propyl- Specification

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

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