Cas no 55-92-5 (1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl-)
55-92-5 structure
Product Name:1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl-
1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl-
- (2-HYDROXYPROPYL)TRIMETHYLAMMONIUMACETATE
- 2-acetyloxypropyl(trimethyl)azanium
- (?à)-Methacholine
- Acetyl-2-methylcholine
- Acetyl-b-methylcholine
- Acetylmethylcholine
- Ammonium,(2-hydroxypropyl)trimethyl-, acetate (6CI)
- Ammonium,(2-hydroxypropyl)trimethyl-, acetate (ester) (8CI)
- b-Methylacetylcholine
- Choline, acetyl-b-methyl-
- MCH
- Mecholin
- Mecholine
- Methacholin
- Methacholine
- RS-Acetyl-b-methylcholine
- BRN 1769932
- CHEBI:6804
- BSPBio_001985
- MCH; Mecholin
- cid_6114
- 55-92-5
- SCHEMBL69103
- Choline, acetyl-beta-methyl-
- NCGC00015045-13
- NCGC00089798-02
- Prestwick0_000759
- SBI-0050014.P003
- Prestwick1_000759
- 2-acetyloxy-N,N,N-trimethylpropan-1-aminium
- Prestwick3_000759
- PDSP2_000135
- beta-Methylacetylcholine
- 03V657ZD3V
- BDBM48918
- SPBio_002717
- Acetyl-beta-methylcholine
- DTXSID2046967
- Lopac0_000025
- NCGC00015045-06
- 2-acetyloxypropyl-trimethylazanium
- [2-(acetyloxy)propyl]trimethylazanium
- NCGC00015045-03
- Q413188
- Methacholine ion
- DB06709
- UNII-03V657ZD3V
- CCG-204121
- C07471
- CHEMBL978
- BPBio1_000856
- GTPL7438
- METHACHOLINE [WHO-DD]
- 1-PROPANAMINIUM, 2-(ACETYLOXY)-N,N,N-TRIMETHYL-, (+/-)-
- AMMONIUM, (2-HYDROXYPROPYL)TRIMETHYL-, ACETATE (ESTER)
- 2-acetoxypropyl(trimethyl)ammonium;chloride
- Prestwick2_000759
- BSPBio_000778
- 2-acetyloxypropyl(trimethyl)ammonium;chloride
- 2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium Chloride
- METHACHOLINE [VANDF]
- Methacholine cation
- PDSP1_000136
- NS00015330
- NCGC00015045-04
- Methacholinum
- 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-
- Lindopharm Brand of Methacholine Chloride
- Provocholine
- DTXCID0026967
- BRD-A18056626-003-22-3
- Provocholine (TN)
- Acetyl-I2-methylcholine
- Methapharma Brand of Methacholine Chloride
- (2-(acetyloxy)propyl)trimethylazanium
- Acetyl beta methylcholine
- Roche Brand of Methacholine Chloride
-
- Inchi： 1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
- InChI Key： NZWOPGCLSHLLPA-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)C[N+](C)(C)C
Computed Properties
- Exact Mass: 160.13384
- Monoisotopic Mass: 195.102607
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 138
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 0.6
Experimental Properties
- Density: 1.0312 (rough estimate)
- Boiling Point: 286.15°C (rough estimate)
- Flash Point: °C
- Refractive Index: 1.4476 (estimate)
- PSA: 26.3
1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl- Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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