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693413

(S)-2-[[(1R,2R)-2-Aminocyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

95%

Synonym(s):

(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N-3,3-trimethylbutanamide

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About This Item

Empirical Formula (Hill Notation):
C21H34N4OS
CAS Number:
479423-21-7
Molecular Weight:
390.59
UNSPSC Code:
12352116
PubChem Substance ID:
329761589
MDL number:
MFCD10567033
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assay

95%

optical activity

[α]20/D +19.0°, c = 1 in chloroform

mp

71-85 °C

SMILES string

CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)N[C@@H]2CCCC[C@H]2N)C(C)(C)C

InChI

1S/C21H34N4OS/c1-21(2,3)18(19(26)25(4)14-15-10-6-5-7-11-15)24-20(27)23-17-13-9-8-12-16(17)22/h5-7,10-11,16-18H,8-9,12-14,22H2,1-4H3,(H2,23,24,27)/t16-,17-,18-/m1/s1

InChI key

CNEVMNSDRMDKFO-KZNAEPCWSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
05811MH

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