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1-Boc-4-cyanomethyl piperazine - 98%, high purity , CAS No.77290-31-4

COA

Grade & Purity:

≥98%

Cas Number: 77290-31-4
Molecular Weight: 225.3
PubChem CID: 21936030
PubChem SID: 488199986

In stock

Item Number

B186550

Grouped product items
SKU	Size	Availability	Price
B186550-1g	1g	5	$11.90
B186550-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$33.90
B186550-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$113.90

Basic Description

Synonyms	77290-31-4 \| tert-butyl 4-(cyanomethyl)piperazine-1-carboxylate \| 1-Boc-4-cyanomethyl piperazine \| 1-tert-Butyloxycarbonylpiperazine-4-acetonitrile \| 4-CYANOMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER \| 1-Boc-4-(cyanomethyl)piperazine \| MFCD06795916 \| SCHEMBL4
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxylic acids
Alternative Parents	N-alkylpiperazines Carbamate esters Trialkylamines Alpha-aminonitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - N-alkylpiperazine - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Alpha-aminonitrile - Carbonitrile - Nitrile - Azacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This 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
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

Names and Identifiers

Pubchem Sid	488199986
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199986
IUPAC Name	tert-butyl 4-(cyanomethyl)piperazine-1-carboxylate
INCHI	InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h5-9H2,1-3H3
InChIKey	OJUKCGDZZNLDPC-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)CC#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC#N
Molecular Weight	225.3
Reaxy-Rn	11039766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11039766&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
B2514017	Certificate of Analysis	Feb 21, 2025	B186550
G1809114	Certificate of Analysis	Feb 05, 2024	B186550
C2317648	Certificate of Analysis	Apr 08, 2023	B186550

Chemical and Physical Properties

Molecular Weight	225.290 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	225.148 Da
Monoisotopic Mass	225.148 Da
Topological Polar Surface Area	56.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292.000
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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