3-(4-Fluorophenoxy)propylamine - CAS 116753-54-9
Catalog: |
BB003814 |
Product Name: |
3-(4-Fluorophenoxy)propylamine |
CAS: |
116753-54-9 |
Synonyms: |
3-(4-fluorophenoxy)-1-propanamine; 3-(4-fluorophenoxy)propan-1-amine |
IUPAC Name: | 3-(4-fluorophenoxy)propan-1-amine |
Description: | 3-(4-Fluorophenoxy)propylamine (CAS# 116753-54-9) is a reagent used in the synthesis of 6-aryl-1,6-dihydro-1,3,5-triazine-2,4-diamines as antiplasmodial antifolates against both drug sensitive and drug resistant strains of P. falciparum. |
Molecular Weight: | 169.20 |
Molecular Formula: | C9H12FNO |
Canonical SMILES: | C1=CC(=CC=C1OCCCN)F |
InChI: | InChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2 |
InChI Key: | ZIBPUVKKZJRDHB-UHFFFAOYSA-N |
Boiling Point: | 269.149 °C at 760 mmHg |
Density: | 1.096 g/cm3 |
MDL: | MFCD06213776 |
LogP: | 2.25360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020087730-A1 | Methods of identifying and treating tumors with sigma1 inhibitors | 20161216 |
WO-2017106312-A1 | Methods of modulating levels of il-6 and pd-l1 | 20151218 |
WO-2015155306-A1 | New trpa1 antagonists | 20140411 |
CN-104822653-A | N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists | 20121001 |
CN-104822653-B | N the third 2 alkynyl carboxamides derivatives and its purposes as TRPA1 antagonist | 20121001 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.090292168 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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