Chem Nn Bis 2 Hydroxypropyl Para Toluidine Sajjan

Compound 41
  CheckMol                        TMF02:r0:m0
MF=C13H21NO2 MW=223.31
 16 16  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871    0.7557   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753    2.2672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613    0.7793   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    2.2908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1484    0.0472   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    3.0465   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5388    3.0465   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4355    0.8030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248    4.5580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5270    4.5580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7226    0.0708   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237    2.3144   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8141    5.3137   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8023    6.8252   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10  1  0  0  0  0
  8 11 01  0  1  0  0
  9 12 02  0  1  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15 02  0  1  0  0
 15 16  1  0  0  0  0
 12 15 01  0  1  0  0
M  END

N,N-Bis (2-Hydroxypropyl) para Toluidine

₹ 0.00 0.00

Chemical Name - N,N-Bis (2-Hydroxypropyl) para Toluidine
Mol Weight - 223.315
Smiles - CC(CN(CC(C)O)c1ccc(C)cc1)O

Property Name	Property Value
Mol Name	N,N-Bis (2-Hydroxypropyl) para Toluidine
Molweight	223.315
Monoisotopic Mass	223.157229
Clogp	1.5777
Clogs	-2.338
H Acceptors	3
H Donors	2
Total Surface Area	185.56
Relative Psa	0.16033
Polar Surface Area	43.7
Druglikeness	1.0763
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.61036
Molecular Complexity	0.60067
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	2
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	9
Symmetric Atoms	6
Amines	1
Aromatic Amines	1
Smiles	CC(CN(CC(C)O)c1ccc(C)cc1)O
InChIKey	InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3
InChI	JFZVSHAMRZPOPA-UHFFFAOYSA-N

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N,N-Bis (2-Hydroxypropyl) para Toluidine