COMPOUND: C18371
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Entry
C18371 Compound
Name
Stearyltrimethylammonium chloride;
1-Octadecanaminium, N,N,N-trimethyl-, chloride
Formula
C21H46N. Cl
Exact mass
347.3319
Mol weight
348.0496
Structure
Mol file
KCF file
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Brite
Animal drugs in Japan [BR:
br08331
]
95 Agents for external use
956 Bath and disinfectants preparations
9562 Disinfectants preparations
C18371 Stearyltrimethylammonium chloride
BRITE hierarchy
Other DBs
CAS:
112-03-8
PubChem:
124489045
ChEBI:
81710
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KCF data
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ATOM 23
1 N1d N 15.9600 -20.7900 #+
2 C1b C 17.2200 -20.0900
3 C1b C 18.4100 -20.7900
4 C1b C 19.6000 -20.0900
5 C1b C 20.7900 -20.7900
6 C1b C 22.0500 -20.0900
7 C1b C 23.2400 -20.7900
8 C1b C 24.4300 -20.0900
9 C1b C 25.6900 -20.7900
10 C1b C 26.8800 -20.0900
11 C1b C 28.0700 -20.7900
12 C1b C 29.2600 -20.0900
13 C1b C 30.5200 -20.7900
14 C1b C 31.7100 -20.0200
15 C1b C 32.9000 -20.7200
16 C1b C 34.1600 -20.0200
17 C1b C 35.3500 -20.7200
18 C1a C 14.9800 -19.8100
19 C1a C 14.7700 -21.4900
20 C1a C 16.3800 -22.1200
21 C1b C 36.5681 -20.0299
22 C1a C 37.7495 -20.7250
23 X Cl 16.1000 -18.1300 #-
BOND 21
1 4 5 1
2 10 11 1
3 11 12 1
4 5 6 1
5 12 13 1
6 2 3 1
7 13 14 1
8 6 7 1
9 14 15 1
10 15 16 1
11 7 8 1
12 16 17 1
13 3 4 1
14 1 18 1
15 8 9 1
16 1 19 1
17 1 2 1
18 1 20 1
19 9 10 1
20 17 21 1
21 21 22 1
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