KEGG   COMPOUND: C16398Help
Entry
C16398                      Compound                               

Name
2-Amino-4-nitrotoluene;
5-Nitro-o-toluidine
Formula
C7H8N2O2
Exact mass
152.0586
Mol weight
152.1506
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C16398  5-Nitro-o-toluidine
BRITE hierarchy
Other DBs
CAS: 99-55-8
PubChem: 47205696
ChEBI: 66891
ChEMBL: CHEMBL324642
NIKKAJI: J95.089K
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    27.4460  -23.7604
            2   C8x C    27.4460  -25.1595
            3   C8y C    28.6616  -25.8625
            4   C8x C    29.8697  -25.1595
            5   C8x C    29.8697  -23.7604
            6   C8y C    28.6616  -23.0645
            7   C1a C    28.6632  -21.6657
            8   N2b N    28.6632  -27.2614 #+
            9   O3a O    27.4516  -27.9588
            10  O3a O    29.8767  -27.9558 #-
            11  N1a N    26.2210  -23.0497
BOND        11
            1     6   7 1
            2     1   2 2
            3     2   3 1
            4     3   8 1
            5     3   4 2
            6     4   5 1
            7     5   6 2
            8     8   9 2
            9     6   1 1
            10    8  10 1
            11    1  11 1

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