4-Amino-5-Iodopyrimidine supplier

Name
5-iodopyrimidin-4-amine
EINECS
CAS No. 91416-96-5
Article Data8
CAS DataBase
Density 2.204 g/cm³
Solubility
Melting Point 188-189 °C
Formula C₄H₄IN₃
Boiling Point 322.7 °C at 760 mmHg
Molecular Weight 221
Flash Point 148.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Iodopyrimidin-4-yl)amine;4-Amino-5-iodopyrimidine;5-iodopyrimidin-4-amine;4-pyrimidinamine, 5-iodo-;
PSA 51.80000
LogP 1.24460

4-Amino-5-Iodopyrimidine 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:
(1)SMILES: Nc1ncncc1I
(2)InChI: InChI=1/C4H4IN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
(3)InChIKey: HTBFTDHEWCRQPJ-UHFFFAOYAV

Product Name

5-iodopyrimidin-4-amine

4-Amino-5-Iodopyrimidine Specification

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