N-Benzyl-3-bromoaniline - CAS 213814-61-0
Catalog: |
BB016806 |
Product Name: |
N-Benzyl-3-bromoaniline |
CAS: |
213814-61-0 |
Synonyms: |
3-bromo-N-(phenylmethyl)aniline; N-benzyl-3-bromoaniline |
IUPAC Name: | N-benzyl-3-bromoaniline |
Description: | N-Benzyl-3-bromoaniline (CAS# 213814-61-0) is a useful research chemical. |
Molecular Weight: | 262.15 |
Molecular Formula: | C13H12BrN |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=CC(=CC=C2)Br |
InChI: | InChI=1S/C13H12BrN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2 |
InChI Key: | NUZUUCXESJBUMX-UHFFFAOYSA-N |
LogP: | 4.13420 |
Publication Number | Title | Priority Date |
CN-110963927-A | Allylation method of N-benzyl aniline compound | 20191014 |
AU-2014230816-A1 | Furopyridines as bromodomain inhibitors | 20130314 |
CN-105189515-B | Furopyridine class as bromine structural domain inhibitor | 20130314 |
EP-2970323-B1 | Furopyridines as bromodomain inhibitors. | 20130314 |
JP-2016510783-A | Furopyridine as a bromodomain inhibitor | 20130314 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.01531 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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