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| CAS No.: | 53557-69-0 |
|---|---|
| Name: | 4-AMINO-6-IODOPYRIMIDINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C4H4IN3 |
| Molecular Weight: | 221 |
| Synonyms: | 6-Iodopyrimidin-4-amine; |
| Density: | 2.204 g/cm3 |
| Melting Point: | 207-210 °C |
| Boiling Point: | 345 °C at 760 mmHg |
| Flash Point: | 162.4 °C |
| PSA: | 51.80000 |
| LogP: | 1.24460 |
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called 4-Pyrimidinamine, 6-iodo-, and its systematic name is 6-Iodopyrimidin-4-amine. With the molecular formula of C4H4IN3, its molecular weight is 221.00. The CAS registry number of this chemical is 53557-69-0.
Other characteristics of the 4-Pyrimidinamine, 6-iodo- can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.97; (6)ACD/BCF (pH 7.4): 8.97; (7)ACD/KOC (pH 5.5): 167.23; (8)ACD/KOC (pH 7.4): 167.42; (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: 162.4 °C; (20)Enthalpy of Vaporization: 58.9 kJ/mol; (21)Boiling Point: 345 °C at 760 mmHg; (22)Vapour Pressure: 6.36E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(ncnc1I)N
2.InChI: InChI=1/C4H4IN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
3.InChIKey: LQSJUQMCZHVKES-UHFFFAOYAA