KEGG   COMPOUND: C16396
Entry
C16396                      Compound                               
Name
2,4-Diamino-6-nitrotoluene
Formula
C7H9N3O2
Exact mass
167.0695
Mol weight
167.1653
Structure
Reaction
R08027 R08034 R08036 R08045 R08046 R08049
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
LinkDB
KCF data

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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