Chem Benzyl Tributyl Ammonium Chloride

Compound 8
  CheckMol                        TMF02:r0:m0
MF=C19H34ClN MW=311.94
 21 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    0.0944   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9939    0.8500   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    1.6056   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -0.6375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9939   -0.6493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0057    2.3612   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4084    2.3612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4084   -2.1251   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0057   -2.1369   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7189    3.1286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3162    3.1168   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4202    3.8723   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216   -2.8570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3162   -2.8806   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    4.6397   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3280    4.6279   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1334    4.6279   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334   -4.3446   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3280   -4.3682   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411    5.3953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16 01  0  1  0  0
 12 17 02  0  1  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21 02  0  1  0  0
 17 21 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Benzyl Tributyl Ammonium Chloride

₹ 0.00 0.00

Chemical Name - Benzyl Tributyl Ammonium Chloride
Mol Weight - 276.486
Smiles - CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]

Property Name	Property Value
Mol Name	Benzyl Tributyl Ammonium Chloride
Molweight	276.486
Monoisotopic Mass	276.269124
Clogp	2.29
Clogs	-3.385
H Acceptors	1
Total Surface Area	253.52
Relative Psa	-0.030057
Druglikeness	-4.9863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.58586
Molecular Complexity	0.49511
Fragments	2
Non H Atoms	20
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	11
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	14
Symmetric Atoms	10
Amines	1
Alkyl Amines	1
Smiles	CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]
InChIKey	InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChI	VJGNLOIQCWLBJR-UHFFFAOYSA-M

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Benzyl Tributyl Ammonium Chloride