COMPOUND: C22686
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Entry
C22686 Compound
Name
4-Dimethylamino-2,2-diphenylvaleronitrile;
4-Cyano-2-dimethylamino-4,4-diphenylbutane;
Methadone intermediate
Formula
C19H22N2
Exact mass
278.1783
Mol weight
278.3914
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Control Act Article 2 Table 1 (74 substances)
C22686
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Other DBs
CAS:
125-79-1
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KCF data
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ATOM 21
1 C8x C 17.4089 -21.0396
2 C8x C 17.4089 -22.4314
3 C8x C 18.5920 -23.1274
4 C8x C 19.7750 -22.4314
5 C8y C 19.7750 -21.0396
6 C8x C 18.5920 -20.4132
7 C8x C 22.0716 -22.4314
8 C8y C 22.0716 -21.0396
9 C1d C 20.8885 -20.4132
10 C8x C 23.2546 -23.1274
11 C8x C 24.4377 -22.4314
12 C8x C 24.4377 -21.0396
13 C8x C 23.2546 -20.4132
14 C1b C 20.8885 -19.0213
15 C1c C 22.0716 -18.3254
16 C3b C 18.9400 -19.2997
17 C1a C 23.2546 -19.0213
18 N1c N 22.0716 -17.0728
19 C1a C 23.2546 -16.3768
20 C1a C 20.8885 -16.3768
21 N3a N 17.7341 -18.6035
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 9 16 1
18 15 17 1
19 15 18 1
20 18 19 1
21 18 20 1
22 16 21 3
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