2,4,5,6-Tetraaminopyrimidine sulfate salt - CAS 5392-28-9
Catalog: |
BB028396 |
Product Name: |
2,4,5,6-Tetraaminopyrimidine sulfate salt |
CAS: |
5392-28-9 |
Synonyms: |
pyrimidine-2,4,5,6-tetramine;sulfuric acid |
IUPAC Name: | pyrimidine-2,4,5,6-tetramine;sulfuric acid |
Description: | Intermediate in the production of Methotrexate. |
Molecular Weight: | 238.23 |
Molecular Formula: | C4H8N6 · H2SO4 |
Canonical SMILES: | C1(=C(N=C(N=C1N)N)N)N.OS(=O)(=O)O |
InChI: | InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4) |
InChI Key: | MQEFDQWUCTUJCP-UHFFFAOYSA-N |
Boiling Point: | 563.9 ℃ at 760 mmHg |
Melting Point: | >300 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.648 g/cm3 |
Appearance: | Light yellow crystal powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00012786 |
LogP: | 1.55820 |
GHS Hazard Statement: | H315 (32.35%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461689-A | Preparation method of methotrexate compound | 20210630 |
CN-113504315-A | Detection method of 2,4,5, 6-tetraaminopyrimidine sulfate | 20210531 |
CN-112851676-A | Synthesis process of methotrexate | 20210125 |
CN-111925373-A | Preparation method of folic acid EP impurity F | 20200902 |
JP-2021150561-A | Abrasive and polishing method | 20200323 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.04842400 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.04842400 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 213 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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