Valethamate bromide
Properties
- Molecular formula
- C19H32BrNO2
- Molar mass
- 386.37 g/mol
- Exact mass
- 385.1616 Da
- Melting point
- 101.5 °C
- logP
- 0.85Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 9
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled97.5% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
90-22-2SMILES
CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]InChIKey
CEJGGHKJHDHLAZ-UHFFFAOYSA-MInChI
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-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
21 names · show all
- 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
- 2-Diethylaminoethyl 3-methyl-2-phenylvalerate methylbromide
- 2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
- Diethyl(2-hydroxyethyl)methylammonium 3-methyl-2-phenylvalerate bromide
- Epidosin
- 3-Methyl-2-phenylvaleric acid 2-diethylaminoethyl ester methyl bromide
- 3-Methyl-2-phenylvaleric acid diethyl(2-hydroxyethyl)methylammonium bromide ester
- Murel
- 2-Phenyl-3-methylvaleric acid β-(diethylamino)ethyl ester bromomethylate
- Resitan
- Elist
- Epidosan
- Letamate
- S 78
- Velamate
- Release V
- Barespan
Work with Valethamate bromide
Similar compounds
Diethylaminoethyl diphenylglycolate methobromide3166-62-948 % similar
Phenylethyl 2-methylbutyrate24817-51-441 % similar
Propantheline bromide50-34-040 % similar
2-Phenylethyl isobutyrate103-48-036 % similar
Diethyl phenylmalonate83-13-636 % similar
Ethyl 3-phenylglycidate121-39-136 % similar
(1-Ethoxycarbonylethyl)triphenylphosphonium bromide30018-16-736 % similar
Ethyl α-chlorobenzeneacetate4773-33-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.