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(S)-tert-Butyl 3-cyanopiperazine-1-carboxylate - ≥97%, high purity , CAS No.1217650-60-6

COA

Grade & Purity:

≥97%

Cas Number: 1217650-60-6
Molecular Weight: 211.26
PubChem CID: 27281805

In stock

Item Number

T731626

Grouped product items
SKU	Size	Availability	Price
T731626-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
T731626-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
T731626-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$316.90

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	Carbamate esters Alpha-aminonitriles Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Alpha-aminonitrile - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - 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

IUPAC Name	tert-butyl (3S)-3-cyanopiperazine-1-carboxylate
INCHI	InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKey	CBFXRUGJRMBDFG-MRVPVSSYSA-N
Smiles	CC(C)(C)OC(=O)N1CCNC(C1)C#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN[C@@H](C1)C#N
PubChem CID	27281805
Molecular Weight	211.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.260 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	211.132 Da
Monoisotopic Mass	211.132 Da
Topological Polar Surface Area	65.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	287.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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