2-(Hydroxymethyl)-1,3-propanediol - CAS 4704-94-3
Catalog: |
BB026213 |
Product Name: |
2-(Hydroxymethyl)-1,3-propanediol |
CAS: |
4704-94-3 |
Synonyms: |
2-(hydroxymethyl)propane-1,3-diol; 2-(hydroxymethyl)propane-1,3-diol |
IUPAC Name: | 2-(hydroxymethyl)propane-1,3-diol |
Description: | 2-(Hydroxymethyl)-1,3-propanediol (CAS# 4704-94-3) is a useful reactant for the preparation of tetracyanocyclopentadienide amine salts. |
Molecular Weight: | 106.12 |
Molecular Formula: | C4H10O3 |
Canonical SMILES: | C(C(CO)CO)O |
InChI: | InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2 |
InChI Key: | SFRDXVJWXWOTEW-UHFFFAOYSA-N |
Boiling Point: | 294.9 °C at 760 mmHg |
Melting Point: | 63-68 °C (dec.) (lit.) |
Flash Point: | 192.2 °CF - closed cup |
Purity: | 97 % |
Density: | 1.213 g/cm3 |
Appearance: | White crystalline |
MDL: | MFCD00192217 |
LogP: | -1.42050 |
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PMID | Publication Date | Title | Journal |
22612984 | 20121001 | The impact of the various chemical and physical factors on the degradation rate of bronopol | International journal of cosmetic science |
22235195 | 20110101 | DNA Interaction and DNA Cleavage Studies of a New Platinum(II) Complex Containing Aliphatic and Aromatic Dinitrogen Ligands | Bioinorganic chemistry and applications |
17164532 | 20070101 | Ligand identification using electron-density map correlations | Acta crystallographica. Section D, Biological crystallography |
14592484 | 20031117 | Synthesis of double-headed 2-5A-antisense chimeras and their ability to activate human RNase L | Bioorganic & medicinal chemistry letters |
12440865 | 20021101 | Polycationic diblock and random polyethylene glycol- or tris(hydroxymethyl)methyl-grafted (co)telomers for gene transfer: synthesis and evaluation of their in vitro transfection efficiency | Bioconjugate chemistry |
Complexity: | 28.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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