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73570-11-3 | N-(pyridin-3-ylmethyl)aniline
CAS No: 73570-11-3 Catalog No: AG00FG2X MDL No:MFCD03725052
Product Description
Catalog Number:
AG00FG2X
Chemical Name:
N-(pyridin-3-ylmethyl)aniline
CAS Number:
73570-11-3
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD03725052
IUPAC Name:
N-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChI Key:
BJXLHKJBRORJJJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCc1cccnc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. | Journal of medicinal chemistry 20090813 |
| Antifungal and cytotoxic activities of some N-substituted aniline derivatives bearing a hetaryl fragment. | Bioorganic & medicinal chemistry 20080115 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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