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methyl trans-3-(boc-amino)cyclobutanecarboxylate - 97%, high purity , CAS No.1101173-77-6

COA

Grade & Purity:

≥97%

Cas Number: 1101173-77-6
Molecular Weight: 229.2729
PubChem CID: 57415870

In stock

Item Number

M172015

Grouped product items
SKU	Size	Availability	Price	Qty
M172015-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90
M172015-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$620.90

Discover methyl trans-3-(boc-amino)cyclobutanecarboxylate by Aladdin Scientific in 97% for only $137.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1101173-77-6 \| 142733-63-9 \| METHYL CIS-3-(BOC-AMINO)CYCLOBUTANECARBOXYLATE \| METHYL TRANS-3-(BOC-AMINO)CYCLOBUTANECARBOXYLATE \| 1234616-81-9 \| METHYL 3-(BOC-AMINO)CYCLOBUTANECARBOXYLATE \| trans-Methyl 3-((tert-butoxycarbonyl)amino)cyclobutanecarboxylate \| methyl 3-{[(
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Carbamic acids and derivatives
        Level7 Carbamate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Carbamic acids and derivatives
Direct Parent	Carbamate esters
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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	methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
INCHI	InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKey	LJEVCFPGOOEUKG-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CC(C1)C(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)NC1CC(C1)C(=O)OC
Molecular Weight	229.2729
Reaxy-Rn	28199503
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28199503&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.270 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	229.131 Da
Monoisotopic Mass	229.131 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	276.000
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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