2-(9H-Purin-6-yl)-ethanol - CAS 948037-49-8
Catalog: |
BB041514 |
Product Name: |
2-(9H-Purin-6-yl)-ethanol |
CAS: |
948037-49-8 |
Synonyms: |
2-(7H-purin-6-yl)ethanol; 2-(7H-purin-6-yl)ethanol |
IUPAC Name: | 2-(7H-purin-6-yl)ethanol |
Description: | 2-(9H-Purin-6-yl)-ethanol (CAS# 948037-49-8) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C7H8N4O |
Canonical SMILES: | C1=NC2=NC=NC(=C2N1)CCO |
InChI: | InChI=1S/C7H8N4O/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11) |
InChI Key: | RJKTVTLFAQBPOJ-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Sealed in dry, 2-8 °C |
LogP: | -0.11230 |
Publication Number | Title | Priority Date |
WO-2020248127-A1 | Borohydride reduction stabilizing system and method for reducing ester to alcohol | 20190611 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.06981089 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.06981089 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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