COMPOUND: C11003
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Entry
C11003 Compound
Name
2,4-Xylidine;
2,4-Dimethylaniline;
2,4-DMA
Formula
C8H11N
Exact mass
121.0891
Mol weight
121.1796
Structure
Mol file
KCF file
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CAS:
95-68-1
PubChem:
13186
ChEBI:
27840
PDB-CCD:
51S
[
PDBj
]
NIKKAJI:
J358A
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KCF data
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ATOM 9
1 C8x C 26.4634 -15.9807
2 C8x C 26.4634 -17.3808
3 C8y C 27.6797 -18.0843
4 C8x C 28.8889 -17.3808
5 C8y C 28.8889 -15.9807
6 C8y C 27.6797 -15.2843
7 N1a N 27.6814 -13.8844
8 C1a C 30.1027 -15.2853
9 C1a C 27.6814 -19.4842
BOND 9
1 3 4 2
2 4 5 1
3 5 6 2
4 6 1 1
5 6 7 1
6 1 2 2
7 5 8 1
8 2 3 1
9 3 9 1
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