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

Name
1-PROPYLCYTOSINE
EINECS
CAS No. 22919-46-6
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₇H₁₁N₃O
Boiling Point 269.2 °C at 760 mmHg
Molecular Weight 153.184
Flash Point 116.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cytosine,1-propyl- (8CI);1-Propylcytosine;NSC 211606;
PSA 60.91000
LogP 0.81670

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

Product Name

1-PROPYLCYTOSINE

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

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