3-(3-Fluorophenyl)-2-propenamide, predominantly trans - CAS 64379-96-0
Catalog: |
BB032456 |
Product Name: |
3-(3-Fluorophenyl)-2-propenamide, predominantly trans |
CAS: |
64379-96-0 |
Synonyms: |
(E)-3-(3-fluorophenyl)prop-2-enamide |
IUPAC Name: | (E)-3-(3-fluorophenyl)prop-2-enamide |
Description: | 3-(3-Fluorophenyl)-2-propenamide, predominantly trans (CAS# 64379-96-0 ) is a useful research chemical. |
Molecular Weight: | 165.16 |
Molecular Formula: | C9H8FNO |
Canonical SMILES: | C1=CC(=CC(=C1)F)C=CC(=O)N |
InChI: | InChI=1S/C9H8FNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H2,11,12)/b5-4+ |
InChI Key: | DKGHNLLBYRFJRC-SNAWJCMRSA-N |
Boiling Point: | 347.5 °C at 760 mmHg |
Density: | 1.219 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD07784401 |
LogP: | 2.02450 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2448894-A1 | Cinnamide derivatives as kcnq potassium channel modulators | 20010531 |
DE-19931116-A1 | Process for the production of phenethylamines and new chemical compounds | 19990706 |
EP-1067113-A2 | Process for the preparation of phenethylamines and intermediates therefor | 19990706 |
EP-1067113-B1 | Process for the preparation of phenethylamines and intermediates therefor | 19990706 |
JP-2001039931-A | Method for producing phenethylamines and novel chemical compounds | 19990706 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 165.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.058992041 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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