(S)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride - ≥95% , CAS No.1217702-80-1

CAS: 1217702-80-1 Cat. No.: T732309 Peso molecular: 280.75 PubChem CID: 45072223
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
T732309-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

38,90US$

58,90US$
Guardar 20,00 US$ (33.96%)
250mg
T732309-250mg
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65,90US$

98,90US$
Guardar 33,00 US$ (33.37%)
1g
T732309-1g
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164,90US$

247,90US$
Guardar 83,00 US$ (33.48%)
5g
T732309-5g
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618,90US$

928,90US$
Guardar 310,00 US$ (33.37%)
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Why this grade

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

🌡

Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC.Cl
IUPAC Name1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
InChIKeyMEZKKNPBRVNHQT-QRPNPIFTSA-N
INCHI1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H/t8-;/m0./s1
Isómeros SMILES CC(C)(C)OC(=O)N1CCN[C@@H](C1)C(=O)OC.Cl
PubChem CID 45072223
Peso molecular 280.75

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid esters
Alternative Parents Piperazine carboxylic acids  Methyl esters  Carbamate esters  Tertiary amines  Monocarboxylic acids and derivatives  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Alpha-amino acid ester - Piperazine-1-carboxylic acid - Piperazine-2-carboxylic acid - 1,4-diazinane - Piperazine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Tertiary amine - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrochloride - Aliphatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular280.750 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.119 Da
Monoisotopic Mass280.119 Da
Topological Polar Surface Area67.900 Ų
Heavy Atom Count18
Formal Charge0
Complexity298.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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