7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one - CAS 62458-96-2
Catalog: |
BB044574 |
Product Name: |
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one |
CAS: |
62458-96-2 |
Synonyms: |
7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol; 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one; 7-benzyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one |
Related CAS: | 69981-00-6 (monohydrochloride)
|
IUPAC Name: | 7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one |
Description: | 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one (CAS# 62458-96-2 ) is a useful research chemical. |
Molecular Weight: | 241.29 |
Molecular Formula: | C14H15N3O |
Canonical SMILES: | C1CN(CC2=C1C(=O)NC=N2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18) |
InChI Key: | NBOPLUXBZUJFHI-UHFFFAOYSA-N |
Boiling Point: | 406.5±55.0 °C (Predicted) |
Melting Point: | 198 °C |
Purity: | ≥ 95 % |
Density: | 1.27 g/cm3 |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.12151211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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