2-Amino-6-(hydroxymethyl)quinazolin-4(3H)-one - CAS 53745-24-7
Catalog: |
BB044417 |
Product Name: |
2-Amino-6-(hydroxymethyl)quinazolin-4(3H)-one |
CAS: |
53745-24-7 |
Synonyms: |
2-amino-6-hydroxymethyl-hydroxyquinazoline; 2-Amino-6-(hydroxymethyl)-4(3h)-quinazolinone; 2-Amino-6-(hydroxymethyl)-4(1H)-quinazolinone |
IUPAC Name: | 2-amino-6-(hydroxymethyl)-3H-quinazolin-4-one |
Description: | 2-Amino-6-(hydroxymethyl)quinazolin-4(3H)-one (CAS# 53745-24-7 ) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | C1=CC2=C(C=C1CO)C(=O)NC(=N2)N |
InChI: | InChI=1S/C9H9N3O2/c10-9-11-7-2-1-5(4-13)3-6(7)8(14)12-9/h1-3,13H,4H2,(H3,10,11,12,14) |
InChI Key: | CUBSZXGUJBRPRO-UHFFFAOYSA-N |
Boiling Point: | 557.3±58.0 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 87.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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