KEGG   COMPOUND: C16397
Entry
C16397                      Compound                               
Name
2,6-Diamino-4-nitrotoluene
Formula
C7H9N3O2
Exact mass
167.0695
Mol weight
167.1653
Structure
Reaction
R08030 R08044
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-
Other DBs
CAS: 59229-75-3
PubChem: 47205695
ChEBI: 19389
NIKKAJI: J90.032J
LinkDB
KCF data

ATOM        12
            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   C8y C    29.8697  -23.7604
            6   C8y C    28.6616  -23.0645
            7   C1a C    28.6632  -21.6657
            8   N1a N    31.0828  -23.0655
            9   N2b N    28.6632  -27.2614 #+
            10  O3a O    27.4516  -27.9588
            11  O3a O    29.8767  -27.9558 #-
            12  N1a N    26.2210  -23.0497
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     4   5 1
            8     5   6 2
            9     9  10 2
            10    6   1 1
            11    9  11 1
            12    1  12 1

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