2-Benzyl-3-hydroxypropanenitrile - CAS 2601-10-7
Catalog: |
BB019101 |
Product Name: |
2-Benzyl-3-hydroxypropanenitrile |
CAS: |
2601-10-7 |
Synonyms: |
2-(hydroxymethyl)-3-phenylpropanenitrile; 2-benzyl-3-hydroxypropanenitrile |
IUPAC Name: | 2-benzyl-3-hydroxypropanenitrile |
Description: | 2-Benzyl-3-hydroxypropanenitrile (CAS# 2601-10-7 ) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1=CC=C(C=C1)CC(CO)C#N |
InChI: | InChI=1S/C10H11NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10,12H,6,8H2 |
InChI Key: | SHUVNTUSGZCKAQ-UHFFFAOYSA-N |
LogP: | 1.36118 |
Publication Number | Title | Priority Date |
AU-2005326962-A1 | Methods and compositions for treating amyloid-related diseases | 20041222 |
CN-101128421-A | Methods and compositions for treating amyloid-related diseases | 20041222 |
EP-1836161-A2 | Methods and compositions for treating amyloid-related diseases | 20041222 |
JP-2008525425-A | Methods and compositions for treating amyloid-related diseases | 20041222 |
JP-5145537-B2 | Methods and compositions for treating amyloid-related diseases | 20041222 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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