3-(4-Nitrophenoxy)propylamine - CAS 100841-04-1
Catalog: |
BB000356 |
Product Name: |
3-(4-Nitrophenoxy)propylamine |
CAS: |
100841-04-1 |
Synonyms: |
3-(4-nitrophenoxy)-1-propanamine; 3-(4-nitrophenoxy)propan-1-amine |
IUPAC Name: | 3-(4-nitrophenoxy)propan-1-amine |
Description: | 3-(4-Nitrophenoxy)propylamine (CAS# 100841-04-1 ) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C9H12N2O3 |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OCCCN |
InChI: | InChI=1S/C9H12N2O3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7,10H2 |
InChI Key: | OQDSYPZEHFBRIK-UHFFFAOYSA-N |
Boiling Point: | 355 °C at 760 mmHg |
Density: | 1.211 g/cm3 |
LogP: | 2.54590 |
Publication Number | Title | Priority Date |
JP-WO2018097126-A1 | Guanidine compounds and fungicides | 20161125 |
JP-WO2018097172-A1 | Phenyl guanidine compounds and fungicides | 20161125 |
WO-2018097126-A1 | Guanidine compound and fungicide | 20161125 |
WO-2018097172-A1 | Phenylguanidine compound and fungicide | 20161125 |
JP-6792636-B2 | Guanidine compounds and fungicides | 20161125 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Amines and Anilines
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