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tert-Butyl Methyl Iminodicarboxylate - ≥95% , CAS No.66389-76-2

tert-Butyl Methyl Iminodicarboxylate - ≥95% , CAS No.66389-76-2

CAS: 66389-76-2 Cat. No.: T162741 Molecular Weight: 175.18 PubChem CID: 11480754

COA

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tert-Butyl Methyl Iminodicarboxylate - ≥95% CAS No(66389-76-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid	488197543
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197543
Canonical Smiles	CC(C)(C)OC(=O)NC(=O)OC
IUPAC Name	tert-butyl N-methoxycarbonylcarbamate
InChIKey	BPECCYFUJCNQOR-UHFFFAOYSA-N
INCHI	1S/C7H13NO4/c1-7(2,3)12-6(10)8-5(9)11-4/h1-4H3,(H,8,9,10)
Isomeric SMILES	CC(C)(C)OC(=O)NC(=O)OC
PubChem CID	11480754
Molecular Weight	175.18
Reaxy-Rn	2250600

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Carbamic acids and derivatives
        Level7 Carbamate esters
        Level8 Methylcarbamates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Carbamic acids and derivatives - Carbamate esters
Direct Parent	Methylcarbamates
Alternative Parents	Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methylcarbamate - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methylcarbamates. These are methyl esters of carbamic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2318004	Certificate of Analysis	Jul 13, 2023	T162741
H2318005	Certificate of Analysis	Jul 13, 2023	T162741
H2318509	Certificate of Analysis	Jul 13, 2023	T162741
H2318751	Certificate of Analysis	Jul 13, 2023	T162741

Chemical and Physical Properties

Melt Point(°C)	79 °C
Molecular Weight	175.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	175.084 Da
Monoisotopic Mass	175.084 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Reviews

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