Hydroxyurea Hydroxyurea

Hydroxyurea structural formula

Structural formula

Business number 03KL
Molecular formula CH4N2O2
Molecular weight 76.06
label

Carbamylhydroxylamine,

hydroxyurea,

N-Hydroxyurea,

carbamoylhydroxylamine,

aliphatic compounds

Numbering system

CAS number:127-07-1

MDL number:MFCD00007943

EINECS number:204-821-7

RTECS number:YT4900000

BRN number:1741548

PubChem number:24278474

Physical property data

1. Character:White needle crystal


2.         Melting point ():142-146


3.          Water solubility:soluble

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 15.37


2. Molar volume (m3/mol):52.1


3. isotonic specific volume (90.2K):150.7


4. Surface Tension (dyne/cm):69.7


5. Polarizability10-24cm3):6.09

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 75.4

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 42.9

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

basic properties

White needle-like crystals. Melting point: 70-72℃ (decomposition) or 141℃ decomposition. Easily soluble in water and hot ethanol, slightly soluble in cold ethanol, insoluble in ether; benzene. Not stable in contact with water or heat. Odorless and tasteless

Storage method

storage

Stored sealed in a cool, dry place.

Synthesis method

Brief description of production methods

Obtained from the reaction of ethyl carbamate and hydroxylamine hydrochloride. Cool the sodium hydroxide solution to 20-25°C. Add ethyl carbamate and hydroxylamine hydrochloride alternately while stirring, and react at 25-28°C for 16 hours. Neutralize with hydrochloric acid to pH 6.5-7, and control the temperature not to exceed 25°C. Then concentrate under reduced pressure, filter while hot, and cool to below 0°C overnight to precipitate crystals. Filter, wash the crystals with ice water, and dry to obtain crude hydroxyurea. The yield is about 65%. After refining, pharmaceutical grade hydroxyurea can be obtained.

Purpose

Purpose

This product is an anti-tumor drug.

Y: Arial; mso-ascii-font-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman’; mso-bidi-font-family: Arial”>(10-24cm3): 6.09

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 75.4

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 42.9

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

basic properties

White needle-like crystals. Melting point: 70-72℃ (decomposition) or 141℃ decomposition. Easily soluble in water and hot ethanol, slightly soluble in cold ethanol, insoluble in ether; benzene. Not stable in contact with water or heat. Odorless and tasteless

Storage method

storage

Stored sealed in a cool, dry place.

Synthesis method

Brief description of production methods

Obtained from the reaction of ethyl carbamate and hydroxylamine hydrochloride. Cool the sodium hydroxide solution to 20-25°C. Add ethyl carbamate and hydroxylamine hydrochloride alternately while stirring, and react at 25-28°C for 16 hours. Neutralize with hydrochloric acid to pH 6.5-7, and control the temperature not to exceed 25°C. Then concentrate under reduced pressure, filter while hot, and cool to below 0°C overnight to precipitate crystals. Filter, wash the crystals with ice water, and dry to obtain crude hydroxyurea. The yield is about 65%. After refining, pharmaceutical grade hydroxyurea can be obtained.

Purpose

Purpose

This product is an anti-tumor drug.

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