2-Benzofuranethanamine Hydrochloride - CAS 91949-94-9
Catalog: |
BB061627 |
Product Name: |
2-Benzofuranethanamine Hydrochloride |
CAS: |
91949-94-9 |
Synonyms: |
2-(1-benzofuran-2-yl)ethan-1-amine hydrochloride; 2-Benzofuranethanamine Hydrochloride; 2-(1-benzofuran-2-yl)ethanamine; hydrochloride |
IUPAC Name: | 2-(1-benzofuran-2-yl)ethanaminehydrochloride |
Molecular Weight: | 197.66 |
Molecular Formula: | C10H12ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(O2)CCN.Cl |
InChI: | InChI=1S/C10H11NO.ClH/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5-6,11H21H |
InChI Key: | NUQMDSSVJGDKDB-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015155306-A1 | New trpa1 antagonists | 20140411 |
AU-6334199-A | Tricyclic delta3-piperidines as alpha2-antagonists | 19981006 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0607417 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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