CAS
29638-69-5 Purity
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29638-69-5 Purity
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Benzoylcholine Chloride
CAS
2964-09-2
Catalog Number
ACM2964092
Category
Other Products
Molecular Weight
243.731g/mol
Molecular Formula
C12H18ClNO2;
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Specification
Synonyms
[2-(benzoyloxy)ethyl]trimethylazanium chloride; Ethanaminium, 2-(benzyloxy)-N,N,N-trimethyl-, chloride; LS-53193; 2-(Benzyloxy)-N,N,N-trimethylethanaminimum chloride; EINECS 221-000-9; 2-(Benzyloxy)-N,N,N-trimethylethanaminium chloride; ACMC-1CN7W; SCHEMBL2356481; TR-031023; J-017588;
IUPAC Name
2-benzoyloxyethyl(trimethyl)azanium;chloride;
Canonical SMILES
C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-];
InChI
InChI=1S/C12H18NO2.ClH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1;
InChI Key
QVFHQENRNSAHEK-UHFFFAOYSA-M;
Complexity
202
Covalently-Bonded Unit Count
2
EC Number
221-000-9
Exact Mass
243.103g/mol
H-Bond Acceptor
3
Heavy Atom Count
16
Monoisotopic Mass
243.103g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
26.3A^2
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