4-Pyrimidinamine, 6-iodo- supplier

Name
4-AMINO-6-IODOPYRIMIDINE
EINECS
CAS No. 53557-69-0
Article Data10
CAS DataBase
Density 2.204 g/cm³
Solubility
Melting Point 207-210 °C
Formula C₄H₄IN₃
Boiling Point 345 °C at 760 mmHg
Molecular Weight 221
Flash Point 162.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Iodopyrimidin-4-amine;
PSA 51.80000
LogP 1.24460

4-Pyrimidinamine, 6-iodo- 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

Product Name

4-AMINO-6-IODOPYRIMIDINE

4-Pyrimidinamine, 6-iodo- Specification

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