2-Amino-3'-hydroxy-acetophenone Hydrochloride - CAS 14665-75-9
Catalog: |
BB074746 |
Product Name: |
2-Amino-3'-hydroxy-acetophenone Hydrochloride |
CAS: |
14665-75-9 |
Synonyms: |
2-(3-Hydroxyphenyl)-2-oxoethanamine Hydrochloride |
IUPAC Name: | 2-amino-1-(3-hydroxyphenyl)ethanonehydrochloride |
Description: | 2-Amino-3'-hydroxy-acetophenone Hydrochloride is a reactant in the synthesis of TRPM8 modulators. |
Molecular Weight: | 151.16 + (36.46) |
Molecular Formula: | C8H9NO2·(HCl) |
Canonical SMILES: | C1=CC(=CC(=C1)O)C(=O)CN.Cl |
InChI: | InChI=1S/C8H9NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5,9H21H |
InChI Key: | KNXFQMJCHAKLKF-UHFFFAOYSA-N |
Melting Point: | >189°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
Appearance: | Pale Beige to Brown Solid |
Storage: | -20°C, Hygroscopic |
References: | PCT Int. Appl. (2014), WO 2014130582 A2 20140828. |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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