COMPOUND: C11004
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Entry
C11004 Compound
Name
2,6-Dimethylaniline;
2,6-DMA;
2,6-Xylidine
Formula
C8H11N
Exact mass
121.0891
Mol weight
121.18
Structure
Mol file
KCF file
DB search
Reaction
R08295
R08299
R08300
R08301
R08302
Pathway
map00982
Drug metabolism - cytochrome P450
Enzyme
3.1.1.1
Other DBs
CAS:
87-62-7
PubChem:
13187
ChEBI:
28738
NIKKAJI:
J43.456F
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KCF data
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ATOM 9
1 C8y C 24.4181 -15.8051
2 C8x C 24.4181 -17.2050
3 C8x C 25.6345 -17.9086
4 C8x C 26.8438 -17.2050
5 C8y C 26.8438 -15.8051
6 C8y C 25.6345 -15.1085
7 C1a C 23.2050 -15.1079
8 N1a N 25.6362 -13.7084
9 C1a C 28.0577 -15.1094
BOND 9
1 3 4 2
2 4 5 1
3 5 6 2
4 6 1 1
5 1 7 1
6 1 2 2
7 6 8 1
8 2 3 1
9 5 9 1
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