KEGG   COMPOUND: C14403Help
Entry
C14403                      Compound                               

Name
ortho-Toluidine;
o-Toluidine;
2-Aminotoluene
Formula
C7H9N
Exact mass
107.0735
Mol weight
107.1531
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C14403  o-Toluidine
BRITE hierarchy
Other DBs
CAS: 95-53-4
PubChem: 17395403
ChEBI: 66892
ChEMBL: CHEMBL1381
PDB-CCD: 51V[PDBj]
NIKKAJI: J3.953E
LinkDB All DBs
KCF data Show

ATOM        8
            1   C8x C    27.0492  -16.9786
            2   C8x C    27.0492  -18.3759
            3   C8x C    28.2592  -19.0745
            4   C8x C    29.4694  -18.3759
            5   C8y C    29.4694  -16.9786
            6   C8y C    28.2592  -16.2799
            7   C1a C    28.2592  -14.8828
            8   N1a N    30.6982  -16.2689
BOND        8
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1

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