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Merck
CN

733008

(S)-HuaCat

95%

Synonym(s):

(S)-N-(4-Dodecylphenylsulfonyl)pyrrolidine-2-carboxamide, (S)-N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide

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About This Item

Empirical Formula (Hill Notation):
C23H38N2O3S
CAS Number:
1068139-38-7
Molecular Weight:
422.62
NACRES:
NA.22
PubChem Substance ID:
329764779
UNSPSC Code:
12352005
MDL number:
MFCD28016057

Key Documents

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Product Name

(S)-HuaCat, 95%

InChI

1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)29(27,28)25-23(26)22-14-12-19-24-22/h15-18,22,24H,2-14,19H2,1H3,(H,25,26)/t22-/m0/s1

SMILES string

O=C(NS(=O)(C1=CC=C(CCCCCCCCCCCC)C=C1)=O)[C@H]2NCCC2

InChI key

FAGYODAJNLXMRF-QFIPXVFZSA-N

assay

95%

optical activity

[α]/D −110.2°, c = 0.5 in chloroform

mp

203-208 °C

General description

Mixture of branched isomers on the dodecyl chain

hcodes

H413

Hazard Classifications

Aquatic Chronic 4

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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