3-Benzyladenine - CAS 7280-81-1
Catalog: |
BB034701 |
Product Name: |
3-Benzyladenine |
CAS: |
7280-81-1 |
Synonyms: |
3-benzyl-7H-purin-6-imine |
IUPAC Name: | 3-benzyl-7H-purin-6-imine |
Description: | 3-Benzyladenine (CAS# 7280-81-1) is a useful research chemical. |
Molecular Weight: | 225.25 |
Molecular Formula: | C12H11N5 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=NC(=N)C3=C2N=CN3 |
InChI: | InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,14,15) |
InChI Key: | CZJZYCFVITYHDO-UHFFFAOYSA-N |
Boiling Point: | 373.4 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD02167626 |
LogP: | 2.03800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019136093-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 20180102 |
EP-3737683-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 20180102 |
US-2020338084-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 20180102 |
US-2014227206-A1 | Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin | 20130208 |
US-2014227207-A1 | Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin | 20130208 |
PMID | Publication Date | Title | Journal |
14654224 | 20031207 | Cytokinin-induced differentiation of human myeloid leukemia HL-60 cells is associated with the formation of nucleotides, but not with incorporation into DNA or RNA | Biochimica et biophysica acta |
11577198 | 20010901 | The Arabidopsis AHK4 histidine kinase is a cytokinin-binding receptor that transduces cytokinin signals across the membrane | Plant & cell physiology |
218008 | 19790201 | 3-Substituted adenines. In vitro enzyme inhibition and antiviral activity | Journal of medicinal chemistry |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.10144537 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.10144537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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