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Key Documents

13593

Sigma-Aldrich

(−)-N-Benzyl-N-methylephedrinium bromide

purum, ≥99.0% (AT)

Synonym(s):

Benzyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide

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About This Item

Linear Formula:
C6H5CH(OH)CH(CH3)N(CH3)2(CH2C6H5)Br
CAS Number:
Molecular Weight:
350.29
Beilstein/REAXYS Number:
5192330
EC Number:
UNSPSC Code:
12352101
PubChem Substance ID:

grade

purum

assay

≥99.0% (AT)

form

solid

optical activity

[α]20/D −5.3±0.5°, c = 4.5% in methanol

mp

209-211 °C (lit.)
209-211 °C

SMILES string

[Br-].C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)Cc2ccccc2

InChI

1S/C18H24NO.BrH/c1-15(18(20)17-12-8-5-9-13-17)19(2,3)14-16-10-6-4-7-11-16;/h4-13,15,18,20H,14H2,1-3H3;1H/q+1;/p-1/t15-,18-;/m0./s1

InChI key

DSUGMMVBRSBBCH-NKGQWRHHSA-M

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Other Notes

Chiral phase transfer catalyst

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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R. Annunziata et al.
Chemistry & Industry, 288-288 (1980)
S. Colonna et al.
Journal of the Chemical Society. Perkin Transactions 1, 547-547 (1981)
J.C. Fiaud
Tetrahedron Letters, 3495-3495 (1975)
L. Horner et al.
Justus Liebigs Annalen der Chemie, 710-710 (1978)
A. Loupy et al.
Tetrahedron Letters, 30, 333-333 (1989)

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