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296910

(S)-(+)-3,5-Dinitro-N-(1-phenylethyl)benzamide

Name: (<I>S</I>)-(+)-3,5-Dinitro-<I>N</I>-(1-phenylethyl)benzamide
Brand: ALDRICH

98%

Synonym(s):

(S)-(+)-N-(3,5-Dinitrobenzoyl)-α-methylbenzylamine, (S)-(+)-N-(3,5-Dinitrobenzoyl)-1-phenylethylamine

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About This Item

Linear Formula:

C₆H₅CH(CH₃)NHCOC₆H₃(NO₂)₂

CAS Number:

69632-31-1

Molecular Weight:

315.28

UNSPSC Code:

12352102

NACRES:

NA.22

PubChem Substance ID:

24857887

MDL number:

MFCD00064498

Beilstein/REAXYS Number:

3627249

Assay:

98%

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Properties

assay

98%

optical activity

[α]20/D +46.2°, c = 0.9 in acetone

optical purity

ee: 98% (HPLC)

mp

158-161 °C (lit.)

SMILES string

C[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2

InChI

1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m0/s1

InChI key

ABEVDCGKLRIYRW-JTQLQIEISA-N

Description

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number

MKCC4842

09124KF

08106CY

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Global Trade Item Number

SKU	GTIN
296910-1G	04061825932361