Isocytosine Isocytosine

isocytosine structural formula

Structural formula

Business number 02XE
Molecular formula C4H5N3O
Molecular weight 111.10
label

2-amino-4-hydroxypyrimidine,

4-hydroxy-2-aminopyrimidine,

Isosporine,

isocytine,

2-Amino-6-hydroxypyrimidine,

Isocytosine (2-amino-4-hydroxypyrimidine),

4-Hydroxy-2-Aminopyrimidine,

2-Amino-4-Hydroxypyrimidine,

isocytosine,

2-Amino-6-Hydroxpyrimidine,

4(1h)-Pyrimidinone, 2-Amino- (9ci),

2-Amino-4-Hydroxypyrimidine / Isocytosine,

2-Aminouracil,

2-Amino-4-Hydroxypyrimidine 97%

Numbering system

CAS number:108-53-2

MDL number:MFCD00057557

EINECS number:203-592-0

RTECS number:None

BRN number:None

PubChem number:24895959

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL, air=1 ): Undetermined

4. Melting point (ºC): 275

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC) , kPa): Not determined

7. Refractive index (D20): Not determined

8. Flash point ( ºC): Not determined

9. Specific rotation (ºC): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturation vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 27.30

2. Molar volume (cm3/mol): 71.5

3. Isotonic specific volume (90.2K ):206.3

4. Surface tension (dyne/cm): 69.2

5. Polarizability (10-24cm3): 10.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 67.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 170

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/26734

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