Chem Benzyltriethylammonium Chloride

Compound 12
  CheckMol                        TMF02:r0:m0
MF=C13H22ClN MW=227.78
 15 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1160    0.0944   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.1921   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6267    0.1062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713   -1.1921   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    1.4045   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -2.4786   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3821    1.4163   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3821   -1.1803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396    2.7147   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503   -2.4668   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4078   -3.7651   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4175   -3.7533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1632   -5.0516   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6739   -5.0398   -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
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 14 15 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Benzyltriethylammonium chloride

₹ 0.00 0.00

Chemical Name - Benzyltriethylammonium chloride
Mol Weight - 192.325
Smiles - CC[N+](CC)(CC)Cc1ccccc1.[Cl-]

Property Name	Property Value
Mol Name	Benzyltriethylammonium chloride
Molweight	192.325
Monoisotopic Mass	192.175224
Clogp	-0.4364
Clogs	-1.765
H Acceptors	1
Total Surface Area	170.96
Relative Psa	-0.044572
Druglikeness	-9.1571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.64538
Molecular Complexity	0.41291
Fragments	2
Non H Atoms	14
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	6
Amines	1
Alkyl Amines	1
Smiles	CC[N+](CC)(CC)Cc1ccccc1.[Cl-]
InChIKey	InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChI	HTZCNXWZYVXIMZ-UHFFFAOYSA-M

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Benzyltriethylammonium chloride