Chem 2 Benzylaminopyridine AlkaliMetal

Compound 273
  CheckMol                        TMF02:r0:m0
MF=C12H12N2 MW=184.24
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2929   -0.7473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3166   -0.7354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5858    0.0119   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810   -2.2418   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3285   -2.2299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8787   -0.7235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1716    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4645   -0.6998   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1597    1.5538   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7574    0.0712   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4526    2.3248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7455    1.5894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4  1  0  0  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9  1  0  0  0  0
  9 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
  6  8 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

2-Benzylaminopyridine

₹ 0.00 0.00

Chemical Name - 2-Benzylaminopyridine
Mol Weight - 184.241
Smiles - C(c1ccccc1)Nc1ncccc1

Property Name	Property Value
Mol Name	2-Benzylaminopyridine
Molweight	184.241
Monoisotopic Mass	184.100048
Clogp	2.0752
Clogs	-2.729
H Acceptors	2
H Donors	1
Total Surface Area	157
Relative Psa	0.14287
Polar Surface Area	24.92
Druglikeness	-0.093305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.50483
Molecular Complexity	0.4995
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	C(c1ccccc1)Nc1ncccc1
InChIKey	InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
InChI	WYHXNQXDQQMTQI-UHFFFAOYSA-N

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1 - 2-Benzylaminopyridine
2 - 2-Benzylaminopyridine

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2-Benzylaminopyridine