COMPOUND: C19231
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Entry
C19231 Compound
Name
3,3'-Dimethoxybenzidine;
ortho-Dianisidine
Formula
C14H16N2O2
Exact mass
244.1212
Mol weight
244.29
Structure
Mol file
KCF file
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CAS:
119-90-4
PubChem:
124489903
ChEBI:
82321
PDB-CCD:
DDJ
[
PDBj
]
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KCF data
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ATOM 18
1 C8y C 17.7153 -19.0927
2 C8y C 17.0553 -20.3974
3 C8x C 17.7946 -21.5863
4 C8x C 19.1939 -21.5405
5 C8y C 19.8538 -20.3058
6 C8x C 19.1146 -19.1169
7 C8y C 21.2538 -20.3058
8 C8x C 21.9576 -21.5251
9 C8x C 23.3576 -21.5252
10 C8y C 24.0577 -20.3129
11 C8y C 23.3540 -19.0936
12 C8x C 21.9540 -19.0934
13 N1a N 25.4799 -20.3132
14 N1a N 15.6827 -20.3873
15 O2a O 16.9986 -17.9042
16 C1a C 15.6100 -17.9308
17 O2a O 24.0534 -17.8826
18 C1a C 25.4796 -17.8835
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 2 14 1
16 1 15 1
17 15 16 1
18 11 17 1
19 17 18 1
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