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Research chemical

1,1-Dimethylethyl N-[(1S)-1-(iodomethyl)-2-methylpropyl]carbamate

CAS Number: 161529-21-1

Chemical structure
1,1-Dimethylethyl N-[(1S)-1-(iodomethyl)-2-methylpropyl]carbamate molecular structure, CAS 161529-21-1

Product details

Identity & specification

Molecular formula
C10H20INO2
Molecular weight
313.18 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

11141505

Exact Mass

313.05388

InChIKey

XBOPXPWVPIOUTD-MRVPVSSYSA-N

IUPAC Name

tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate

SMILES String

CC(C)[C@@H](CI)NC(=O)OC(C)(C)C

Physical Properties

Appearance

White solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

278.0 °C

Density

1.51 g/cm³

Water Solubility

Insoluble

Flash Point

116.5 °C

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Autoignition Temp

350.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

14

H-bond acceptors

3

H-bond donors

1

Rotatable bonds

3

Ring count

0

Aromatic rings

0

Topological polar surface area

38.33 Ų

Computed LogP

2.97

Fragment-like structure rule

No

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

organic nitrogen ligand candidate

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

No

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

This compound is a chiral iodinated carbamate, specifically a Boc-protected amino alcohol derivative with an iodine atom. It serves as a functionalized intermediate in organic synthesis, offering a versatile building block for various chemical transformations.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is primarily employed as a chiral building block and functionalized intermediate in organic synthesis.

Documentation needs

Handle with appropriate personal protective equipment, including chemical-resistant gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to prevent inhalation. Avoid direct contact with skin and eyes.

Applications & Classification

Research intermediateCustom synthesis building blockPeptide Synthesis ReagentsPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Procurement notes

Sourcing context and documentation notes

Show details

MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 161529-21-1 in stock?

1,1-Dimethylethyl N-[(1S)-1-(iodomethyl)-2-methylpropyl]carbamate is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 161529-21-1?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.