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Product Overview

Product Code

CDX-00014279

CAS Number

243116-62-3

Product Format

Neat

Molecular Formula

C20 H30 N2 O5 . H2 O

Molecular Weight

396.48

Product Categories

Additional phytochemical reference materials

Documentation

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Product Information

Analyte Data

Analyte Name

Neotame monohydrate

CAS Number

243116-62-3

Molecular Formula

C20 H30 N2 O5 . H2 O

Molecular Weight

396.48

Accurate Mass

396.226

Melting Point

83-85

Appearance/Form

Powder

Color

White

Odor

Odourless

SMILES

O.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C

InChI

InChI=1S/C20H30N2O5.H2O/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14;/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24);1H2/t15-,16-;/m0./s1

IUPAC

(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;hydrate

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

29225000

Product Format

Neat

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