3-(2-Aminoethyl)benzofuran - CAS 27404-31-5
Catalog: |
BB019562 |
Product Name: |
3-(2-Aminoethyl)benzofuran |
CAS: |
27404-31-5 |
Synonyms: |
2-(3-benzofuranyl)ethanamine; 2-(1-benzofuran-3-yl)ethanamine |
IUPAC Name: | 2-(1-benzofuran-3-yl)ethanamine |
Description: | 3-(2-Aminoethyl)benzofuran (CAS# 27404-31-5) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CO2)CCN |
InChI: | InChI=1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2 |
InChI Key: | NEHYFMQXSNIAMZ-UHFFFAOYSA-N |
Boiling Point: | 268.529 °C at 760 mmHg |
Density: | 1.129 g/cm3 |
LogP: | 2.63430 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111116598-A | Asymmetric synthesis method of antipsychotic drugs | 20181101 |
CN-110922412-A | Asymmetric synthesis method of medicinal compound with antipsychotic effect | 20180920 |
US-2019304569-A1 | Drug targeting of human indoleamine 2,3-dioxygenase | 20161206 |
WO-2018106579-A1 | Drug targeting of human indoleamine 2,3-dioxygenase | 20161206 |
EP-3049523-B1 | Multiaptamer target detection | 20130924 |
PMID | Publication Date | Title | Journal |
16481164 | 20060501 | Substrate specificity of strictosidine synthase | Bioorganic & medicinal chemistry letters |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Amines and Anilines
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