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4-Carbamimidoyl-piperazine-1-carboxylic acid tert-butyl ester - ≥95%, high purity , CAS No.153836-14-7

COA

Grade & Purity:

≥95%

Cas Number: 153836-14-7
Molecular Weight: 228.3
PubChem CID: 15197650

In stock

Item Number

C728291

Grouped product items
SKU	Size	Availability	Price	Qty
C728291-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,007.90

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 Guanidines Carboximidamides Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Guanidine - Azacycle - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - 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

IUPAC Name	tert-butyl 4-carbamimidoylpiperazine-1-carboxylate
INCHI	InChI=1S/C10H20N4O2/c1-10(2,3)16-9(15)14-6-4-13(5-7-14)8(11)12/h4-7H2,1-3H3,(H3,11,12)
InChIKey	MJNAHJKRZWPBSX-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C(=N)N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C(=N)N
PubChem CID	15197650
Molecular Weight	228.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.290 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.159 Da
Monoisotopic Mass	228.159 Da
Topological Polar Surface Area	82.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	277.000
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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