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4-Benzyl 1-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate - ≥97% , CAS No.1202800-72-3

4-Benzyl 1-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate - ≥97% , CAS No.1202800-72-3

CAS: 1202800-72-3 Cat. No.: B992420 Molecular Weight: 349.400

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Storage

Room temperature

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

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

Canonical Smiles	CC(C)(C)OC(=O)N1CCN(CC1CN)C(=O)OCC2=CC=CC=C2
IUPAC Name	4-O-benzyl 1-O-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate
InChIKey	HCTLIWDKRMAKAI-UHFFFAOYSA-N
INCHI	1S/C18H27N3O4/c1-18(2,3)25-17(23)21-10-9-20(12-15(21)11-19)16(22)24-13-14-7-5-4-6-8-14/h4-8,15H,9-13,19H2,1-3H3
Molecular Weight	349.400

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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Piperazine carboxylic acids Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Piperazine-1-carboxylic acid - 1,4-diazinane - Piperazine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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:

Chemical and Physical Properties

Molecular Weight	349.400 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	349.2 Da
Monoisotopic Mass	349.2 Da
Topological Polar Surface Area	85.100 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	458.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

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