COMPOUND: C19236
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Entry
C19236 Compound
Name
Disperse Blue 1;
1,4,5,8-Tetraamino-9,10-anthracenedione
Formula
C14H12N4O2
Exact mass
268.0960
Mol weight
268.27
Structure
Mol file
KCF file
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CAS:
2475-45-8
PubChem:
124489908
ChEBI:
82325
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KCF data
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ATOM 20
1 C8x C 16.6600 -12.4600
2 C8x C 16.6600 -13.8600
3 C8y C 17.8724 -14.5600
4 C8y C 19.0849 -13.8600
5 C8y C 19.0849 -12.4600
6 C8y C 17.8724 -11.7600
7 C5x C 20.2973 -14.5600
8 C8y C 21.5097 -13.8600
9 C8y C 21.5097 -12.4600
10 C5x C 20.2973 -11.7600
11 C8y C 22.7222 -14.5600
12 C8x C 23.9346 -13.8600
13 C8x C 23.9346 -12.4600
14 C8y C 22.7222 -11.7600
15 O5x O 20.2973 -10.3600
16 O5x O 20.2973 -15.9600
17 N1a N 17.8724 -10.3602
18 N1a N 17.8724 -15.9598
19 N1a N 22.7222 -10.3603
20 N1a N 22.7222 -15.9597
BOND 22
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 10 15 2
18 7 16 2
19 6 17 1
20 3 18 1
21 14 19 1
22 11 20 1
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