KEGG   COMPOUND: C02454
Entry
C02454                      Compound                               
Name
Phenylenediamine;
m-Phenylenediamine;
Diaminobenzene;
m-Diaminobenzene;
Benzenediamine;
1,3-Benzenediamine;
meta-Phenylenediamine
Formula
C6H8N2
Exact mass
108.0687
Mol weight
108.14
Structure
Comment
o-Phenylenediamine [CPD:C14402]
p-Phenylenediamine [CPD:C19499]
Other DBs
CAS: 25265-76-3 108-45-2
PubChem: 5474
ChEBI: 8092
NIKKAJI: J369G J600.168H
LinkDB
KCF data

ATOM        8
            1   C8x C    19.0451  -14.7289
            2   C8y C    19.0451  -16.1366
            3   C8y C    17.8229  -14.0313
            4   C8x C    17.8229  -16.8470
            5   N1a N    20.2481  -16.8277
            6   C8x C    16.6198  -14.7289
            7   N1a N    17.8164  -12.6429
            8   C8x C    16.6198  -16.1366
BOND        8
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 2
            8     6   8 1

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