(S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate - ≥97% , CAS No.674792-06-4

CAS: 674792-06-4 Cat. No.: S589849 Molecular Weight: 242.36 EC Number: 688-050-5 PubChem CID: 17750437
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
DTXSID70590504 | tert-butyl (25)-2-isobutylpiperazine-1-carboxylate | A26028 | MFCD03787916 | AB15888 | (S)-tert-butyl2-isobutylpiperazine-1-carboxylate | AKOS005258435 | (5)-tert-butyl 2-isobutylpiperazine-1-carboxylate | (S)-1-N-Boc-Isobutylpiperazine |
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
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Size
Status
Price
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100mg
S589849-100mg
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$14.90
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250mg
S589849-250mg
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$14.90

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1g
S589849-1g
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$46.90

$70.90
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5g
S589849-5g
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$175.90

$263.90
Save $88.00 (33.35%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.

📚

Literature proof

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

Specifications

Synonyms
DTXSID70590504 | tert-butyl (25)-2-isobutylpiperazine-1-carboxylate | A26028 | MFCD03787916 | AB15888 | (S)-tert-butyl2-isobutylpiperazine-1-carboxylate | AKOS005258435 | (5)-tert-butyl 2-isobutylpiperazine-1-carboxylate | (S)-1-N-Boc-Isobutylpiperazine |
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)CC1CNCCN1C(=O)OC(C)(C)C
IUPAC Nametert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
InChIKeyWXGGVOBNOVOVAM-NSHDSACASA-N
INCHI1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
Isomeric SMILES CC(C)C[C@H]1CNCCN1C(=O)OC(C)(C)C
PubChem CID 17750437
Molecular Weight 242.36

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Piperazine carboxylic acids and derivatives
Direct ParentPiperazine carboxylic acids
Alternative Parents Carbamate esters  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Piperazine-1-carboxylic acid - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight242.360 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass242.199 Da
Monoisotopic Mass242.199 Da
Topological Polar Surface Area41.600 Ų
Heavy Atom Count17
Formal Charge0
Complexity259.000
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 Count1
Solution Calculators
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