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Compound 77
  CheckMol                        TMF02:r0:m0
MF=C6H18N4 MW=146.24
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.7434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5105   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.7434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    2.2657   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8588   -0.7316   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627    3.7762   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.7316   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END

Tris(2-aminoethyl)amine

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Chemical Name - Tris(2-aminoethyl)amine
Mol Weight - 146.237
Smiles - NCCN(CCN)CCN

Property Name	Property Value
Mol Name	Tris(2-aminoethyl)amine
Molweight	146.237
Monoisotopic Mass	146.153146
Clogp	-2.8902
Clogs	0.586
H Acceptors	4
H Donors	3
Total Surface Area	131.92
Relative Psa	0.37417
Polar Surface Area	81.3
Druglikeness	-3.3113
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.85724
Molecular Complexity	0.40236
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	6
Sp3 Atoms	10
Symmetric Atoms	6
Amines	4
Alkyl Amines	4
Basic Nitrogens	4
Smiles	NCCN(CCN)CCN
InChIKey	InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
InChI	MBYLVOKEDDQJDY-UHFFFAOYSA-N

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Tris(2-aminoethyl)amine