KEGG   COMPOUND: C16396Help
Entry
C16396                      Compound                               

Name
2,4-Diamino-6-nitrotoluene
Formula
C7H9N3O2
Exact mass
167.0695
Mol weight
167.1653
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.7.1         1.2.7.4         1.7.1.-         1.12.99.6       
2.3.1.5
Other DBs
CAS: 6629-29-4
PubChem: 47205694
ChEBI: 19342
NIKKAJI: J499.320I
KCF data Show

ATOM        12
            1   C8y C    28.1016  -24.0620
            2   C8x C    28.1016  -25.4623
            3   C8y C    29.3182  -26.1659
            4   C8x C    30.5275  -25.4623
            5   C8y C    30.5275  -24.0620
            6   C8y C    29.3182  -23.3654
            7   C1a C    29.3199  -21.9653
            8   N2b N    31.7417  -23.3664 #+
            9   N1a N    29.3199  -27.5660
            10  O3a O    32.9547  -24.0637
            11  O3a O    31.7427  -21.9661 #-
            12  N1a N    26.8754  -23.3506
BOND        12
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     8  10 2
            8     4   5 1
            9     8  11 1
            10    5   6 2
            11    6   1 1
            12    1  12 1

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