Chem N 1 Naphthylethylenediamine Dihydrochloride Ncc

Compound 131
  CheckMol                        TMF02:r0:m0
MF=C12H16Cl2N2 MW=259.18
 16 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2581    2.7836   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    1.2062   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    2.6908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7554    0.2552   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    3.6651   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2541    3.2128   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4886   -1.2062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460    5.1497   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2874    3.1664   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.4977    4.6974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6252   -2.1573   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3378    5.6716   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7862    6.1240   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1276    4.1406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3712    5.6252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  2  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12  1  0  0  0  0
  9 13 01  0  1  0  0
  9 14 02  0  1  0  0
 10 15 01  0  1  0  0
 14 16 01  0  1  0  0
 11 13 02  0  1  0  0
 15 16 02  0  1  0  0
M  END

N-(1-Naphthyl)ethylenediamine dihydrochloride

₹ 0.00 0.00

Chemical Name - N-(1-Naphthyl)ethylenediamine dihydrochloride
Mol Weight - 186.257
Smiles - NCCNc1cccc2ccccc12.Cl.Cl
InChI - MZNYWPRCVDMOJG-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H

Property Name	Property Value
Mol Name	N-(1-Naphthyl)ethylenediamine dihydrochloride
Molweight	186.257
Monoisotopic Mass	186.115698
Clogp	1.5828
Clogs	-3.151
H Acceptors	2
H Donors	2
Total Surface Area	155.36
Relative Psa	0.17205
Polar Surface Area	38.05
Druglikeness	-2.9975
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.37604
Molecular Complexity	0.626
Fragments	3
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	10
Sp3 Atoms	3
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	NCCNc1cccc2ccccc12.Cl.Cl
InChIKey	InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
InChI	MZNYWPRCVDMOJG-UHFFFAOYSA-N

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1 - N-(1-Naphthyl)ethylenediamine dihydrochloride
2 - N-(1-Naphthyl)ethylenediamine dihydrochloride

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N-(1-Naphthyl)ethylenediamine dihydrochloride