| Identification | |
| Name: | 4-Pyrimidinamine,5-iodo- |
| Synonyms: | (5-Iodopyrimidin-4-yl)amine;4-Amino-5-iodopyrimidine;5-iodopyrimidin-4-amine;4-pyrimidinamine, 5-iodo-; |
| CAS: | 91416-96-5 |
| Molecular Formula: | C4H4IN3 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C4H4IN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8) |
| Molecular Structure: |  |
| Properties | |
| Density: | 2.204 g/cm3 |
| Refractive index: | 1.719 |
| Specification: |
The 4-Amino-5-Iodopyrimidine, with the CAS registry number 91416-96-5, has the IUPAC name of (2S)-2-aminobutanedioic acid. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C4H4IN3. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 3.77; (6)ACD/BCF (pH 7.4): 4.1; (7)ACD/KOC (pH 5.5): 87.87; (8)ACD/KOC (pH 7.4): 95.57; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 39.57 cm3; (15)Molar Volume: 100.2 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 77 dyne/cm; (18)Density: 2.204 g/cm3; (19)Flash Point: 148.9 °C; (20)Enthalpy of Vaporization: 56.45 kJ/mol; (21)Boiling Point: 322.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000275 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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