COMPOUND: C07488
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Entry
C07488 Compound
Name
DMPP;
Dimethylphenylpiperazinium iodide;
1,1-Dimethyl-4-phenylpiperazinium Iodide
Formula
C12H19N2. I
Exact mass
318.0593
Mol weight
318.1971
Structure
Mol file
KCF file
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CAS:
54-77-3
PubChem:
9691
ChEBI:
4290
NIKKAJI:
J237.293B
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KCF data
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ATOM 15
1 N1y N 26.6056 -19.3782
2 C8y C 26.6056 -20.7383
3 C1x C 27.7788 -18.6954
4 C1x C 25.4266 -18.6895
5 C8x C 25.4207 -21.4154
6 C8x C 27.7788 -21.4154
7 C1x C 27.7848 -17.3353
8 C1x C 25.4266 -17.3295
9 C8x C 25.4207 -22.7754
10 C8x C 27.7788 -22.7754
11 N2y N 26.6115 -16.6465 #+
12 C8x C 26.6056 -23.4584
13 C1a C 25.2223 -15.6309
14 C1a C 27.9015 -15.4268
15 X I 30.9017 -19.9853 #-
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 9 12 1
12 11 13 1
13 11 14 1
14 8 11 1
15 10 12 2
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