N,N-Diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide | CAS No. 90-22-2

N,N-Diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide

Basic Information

CAS Number

90-22-2

Molecular Formula

C19H32BrNO2

Molecular Weight

386.4 g/mol

AD

Basic Physical Properties

Melting Point

120-127℃

CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-]

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

CEJGGHKJHDHLAZ-UHFFFAOYSA-M

LogP

0.84990

Complexity

319

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • CHEBI:32288
  • MFCD00031617
  • Ediposin
  • NCGC00185757-01
  • Valethamate bromide (JAN)
  • 2-Diethylaminoethyl 3-methyl-2-phenylvalerate methylbromide
  • D01538
  • 6XFR940M2A
  • LS-17431
  • 90-22-2
  • SR-01000883681-1
  • Valeric acid, 3-methyl-2-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide
  • HMS3886O09
  • N,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminium bromide
  • 2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
  • Valethamate bromide [JAN:NF]
  • ETHANAMINIUM, N,N-DIETHYL-N-METHYL-2-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE (1:1)
  • diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide
  • Shinmetane (TN)
  • Z2242062099
  • SMR004701230
  • Epidosin
  • EINECS 201-977-8
  • SCHEMBL249506
  • 2-PHENYL-3-METHYLVALERIC ACID .BETA.-(DIETHYLAMINO)ETHYL ESTER BROMOMETHYLATE
  • VALETHAMATE BROMIDE [MI]
  • C19H32NO2.Br
  • 3-Methyl-2-phenylvaleric acid diethyl(2-hydroxyethyl)methylammonium bromide ester
  • UNII-6XFR940M2A
  • CS-0020258
  • Tox21_113553

MDL Number

MFCD00031617

Customs Code

2923900090

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