Adenine monohydrochloride - CAS 2922-28-3
Catalog: |
BB020133 |
Product Name: |
Adenine monohydrochloride |
CAS: |
2922-28-3 |
Synonyms: |
Adenine hydrochloride; 6-Aminopurine hydrochloride |
IUPAC Name: | 7H-purin-6-amine;hydrochloride |
Description: | Adenine HCl is a hydrochloride salt form of adenine which is a purine derivative and a nucleobase with a variety of roles in biochemistry. |
Molecular Weight: | 171.59 |
Molecular Formula: | C5H5N5.HCl |
Canonical SMILES: | C1=NC2=C(N1)C(=NC=N2)N.Cl |
InChI: | InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H |
InChI Key: | UQVDQSWZQXDUJB-UHFFFAOYSA-N |
Boiling Point: | 553.5 °C at 760 mmHg |
Purity: | > 98 % |
Appearance: | White to off-white solid |
Storage: | Cool and dry place. |
LogP: | 1.31830 |
GHS Hazard Statement: | H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
1545 | 19751101 | Hybrid-versus-parental strain reaction. I. Comparative mortality in allogenetic and parental strain male and female mice | Journal of the National Cancer Institute |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0311729 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0311729 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Purines
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