Valethamate bromide
CAS Registry Number®
90-22-2
No image available.
CAS Name
Valethamate bromideMolecular Formula
C19H32NO2.BrCite this Page
Valethamate bromide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=90-22-2 (retrieved ) (CAS RN: 90-22-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
101.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1
InChIKey
InChIKey=CEJGGHKJHDHLAZ-UHFFFAOYSA-M
SMILES
C(C(OCC[N+](CC)(CC)C)=O)(C(CC)C)C1=CC=CC=C1.[Br-]
Canonical SMILES
[Br-].O=C(OCC[N+](C)(CC)CC)C(C=1C=CC=CC1)C(C)CC
Other Names for this Substance
- Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide (1:1)
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-methyl-2-phenylvalerate
- Diethyl(2-hydroxyethyl)methylammonium bromide 3-methyl-2-phenylvalerate
- Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide
- Valeric acid, 3-methyl-2-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide
