N-Benzyl-3-methoxyaniline - CAS 90811-55-5
Catalog: |
BB039959 |
Product Name: |
N-Benzyl-3-methoxyaniline |
CAS: |
90811-55-5 |
Synonyms: |
3-methoxy-N-(phenylmethyl)aniline; N-benzyl-3-methoxyaniline |
IUPAC Name: | N-benzyl-3-methoxyaniline |
Description: | N-Benzyl-3-methoxyaniline (CAS# 90811-55-5) is a useful research chemical. |
Molecular Weight: | 213.28 |
Molecular Formula: | C14H15NO |
Canonical SMILES: | COC1=CC=CC(=C1)NCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H15NO/c1-16-14-9-5-8-13(10-14)15-11-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3 |
InChI Key: | IWXYQQZZRQBFKF-UHFFFAOYSA-N |
LogP: | 3.38030 |
Publication Number | Title | Priority Date |
EP-3326715-A1 | Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute | 20150720 |
US-10500577-B2 | Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides | 20150720 |
US-2018207628-A1 | Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute | 20150720 |
CN-104447354-A | Green method for preparing amine derivatives from alcohols and amines | 20141202 |
CN-104447354-B | A kind of green method that amine derivative is prepared by alkohol and amine | 20141202 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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