3-(3-Nitrophenoxy)propylamine - CAS 116753-51-6
Catalog: |
BB003813 |
Product Name: |
3-(3-Nitrophenoxy)propylamine |
CAS: |
116753-51-6 |
Synonyms: |
3-(3-nitrophenoxy)-1-propanamine; 3-(3-nitrophenoxy)propan-1-amine |
IUPAC Name: | 3-(3-nitrophenoxy)propan-1-amine |
Description: | 3-(3-Nitrophenoxy)propylamine (CAS# 116753-51-6 ) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C9H12N2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OCCCN)[N+](=O)[O-] |
InChI: | InChI=1S/C9H12N2O3/c10-5-2-6-14-9-4-1-3-8(7-9)11(12)13/h1,3-4,7H,2,5-6,10H2 |
InChI Key: | QMRSDYBQUDEVCQ-UHFFFAOYSA-N |
Boiling Point: | 354.1 ℃ at 760 mmHg |
Density: | 1.211 g/cm3 |
LogP: | 2.54590 |
Publication Number | Title | Priority Date |
EP-2099770-A2 | Pyridazinones and furan-containing compounds | 20061221 |
EP-2099770-B1 | Pyridazinones and furan-containing compounds | 20061221 |
EP-2518063-A1 | Pyridazinones and furan-containing compounds | 20061221 |
EP-2518063-B1 | Pyridazinones and furan-containing compounds | 20061221 |
US-2010210649-A1 | Pyridazinones and furan-containing compounds | 20061221 |
Complexity: | 181 |
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: | 1.6 |
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