COMPOUND: C19429
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Entry
C19429 Compound
Name
HC Blue No. 2;
2,2'-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis-ethanol
Formula
C12H19N3O5
Exact mass
285.1325
Mol weight
285.2964
Structure
Mol file
KCF file
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CAS:
33229-34-4
PubChem:
124490101
ChEBI:
82472
KCF data
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ATOM 20
1 C8x C 16.9400 -18.4800
2 C8y C 16.9400 -19.8800
3 C8y C 18.1524 -20.5800
4 C8x C 19.3649 -19.8800
5 C8y C 19.3649 -18.4800
6 C8x C 18.1524 -17.7800
7 N1c N 20.6024 -17.7800
8 C1b C 21.8149 -18.4800
9 C1b C 23.0273 -17.7800
10 O1a O 24.2397 -18.4800
11 N1b N 15.7276 -20.5800
12 C1b C 14.5151 -19.8800
13 C1b C 13.3027 -20.5800
14 O1a O 12.0903 -19.8800
15 N2b N 18.1524 -21.9798 #+
16 O3a O 16.9232 -22.6896
17 O3a O 19.3480 -22.6702 #-
18 C1b C 20.6024 -16.3800
19 C1b C 21.7979 -15.6896
20 O1a O 22.9853 -16.3751
BOND 20
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 1
9 8 9 1
10 9 10 1
11 2 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 3 15 1
16 15 16 2
17 15 17 1
18 7 18 1
19 18 19 1
20 19 20 1
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PubChem (1)
ChEBI (1)
HSDB (1)
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