Skip to Content
Merck
CN

Key Documents

View All Documentation

693421

3-[(E)-[[(1R,2R)-2-[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]thioureido]cyclohexyl]imino]methyl]-5-(tert-butyl)-4-hydroxyphenyl pivalate

95%

Synonym(s):

3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):
C31H50N4O4S
CAS Number:
462632-54-8
Molecular Weight:
574.82
UNSPSC Code:
12352108
PubChem Substance ID:
329761590
MDL number:
MFCD10567034
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

assay

95%

optical activity

[α]20/D -88°, c = 1 in chloroform

mp

135-138 °C (D)

Mw/Mn

<1.2

SMILES string

CN(C)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1\N=C\c2cc(OC(=O)C(C)(C)C)cc(c2O)C(C)(C)C)C(C)(C)C

InChI

1S/C31H50N4O4S/c1-29(2,3)21-17-20(39-27(38)31(7,8)9)16-19(24(21)36)18-32-22-14-12-13-15-23(22)33-28(40)34-25(30(4,5)6)26(37)35(10)11/h16-18,22-23,25,36H,12-15H2,1-11H3,(H2,33,34,40)/b32-18+/t22-,23-,25-/m1/s1

InChI key

BOFCLIFENISFHX-ZIKUWVHDSA-N

Application

Catalyst for the Strecker reaction

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

It looks like we've run into a problem, but you can still download Certificates of Analysis from our Documents section.

If you need assistance, please contact Customer Support

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library