COMPOUND: C13679
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Entry
C13679 Compound
Name
Bis(3-azidopyridinium)-1,10-decane perchlorate;
DAPA
Formula
C20H28N8. 2Cl
Exact mass
450.1814
Mol weight
451.3959
Structure
Mol file
KCF file
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PubChem:
586271
ChEBI:
34574
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KCF data
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ATOM 30
1 C8x C 18.9147 -17.8564
2 C8y C 18.9147 -19.2599
3 C8x C 20.1331 -19.9617
4 N5y N 21.3444 -19.2599 #+
5 C8x C 21.3444 -17.8564
6 C8x C 20.1331 -17.1546
7 C1b C 22.5511 -19.9545
8 C1b C 23.7633 -19.2528
9 C1b C 24.9754 -19.9474
10 C1b C 26.1876 -19.2456
11 C1b C 27.3997 -19.9404
12 C1b C 28.6118 -19.2387
13 C1b C 29.8240 -19.9333
14 C1b C 31.0361 -19.2315
15 C1b C 32.2483 -19.9261
16 C1b C 33.4604 -19.2244
17 N5y N 34.6726 -19.9192 #+
18 C8x C 34.6771 -21.3162
19 C8x C 35.8893 -22.0109
20 C8x C 37.0968 -21.3084
21 C8y C 37.0924 -19.9113
22 C8x C 35.8803 -19.2167
23 N2b N 38.3058 -19.2057
24 N2b N 17.6997 -19.9622
25 N0 N 39.5233 -19.9037 #+
26 N0 N 16.4838 -19.2611 #+
27 N2a N 15.2641 -18.5582 #-
28 N2a N 40.7333 -20.5997 #-
29 X Cl 34.6142 -18.1812 #-
30 X Cl 21.2650 -20.7945 #-
BOND 29
1 13 14 1
2 6 1 1
3 14 15 1
4 15 16 1
5 4 7 1
6 16 17 1
7 7 8 1
8 8 9 1
9 1 2 2
10 17 18 2
11 18 19 1
12 19 20 2
13 20 21 1
14 21 22 2
15 22 17 1
16 9 10 1
17 21 23 1
18 2 3 1
19 2 24 1
20 10 11 1
21 23 25 2
22 3 4 2
23 24 26 2
24 11 12 1
25 26 27 2
26 4 5 1
27 25 28 2
28 12 13 1
29 5 6 2
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