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tert-butyl 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate - 97%, high purity , CAS No.1273562-74-5

COA

Grade & Purity:

≥97%

Cas Number: 1273562-74-5
Molecular Weight: 212.24
MDL number: MFCD18793394
PubChem CID: 72207254

In stock

Item Number

T628050

Grouped product items
SKU	Size	Availability	Price
T628050-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$333.90
T628050-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$533.90
T628050-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$888.90
T628050-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,600.90

Basic Description

Synonyms	1273562-74-5 \| tert-butyl 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate \| 6-BOC-2-OXO-3,6-DIAZA-BICYCLO[3.1.1]HEPTANE \| 6-Boc-2-oxo-3,6-diazabicyclo[3.1.1]heptane \| SCHEMBL18630678 \| YAC56274 \| MFCD18793394 \| PB11377 \| AS-73808 \| CS-0054627 \| P12452
Specifications & Purity	≥97%
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 Alpha amino acids and derivatives

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
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Piperazine carboxylic acids Piperidinones Delta lactams Azetidinecarboxylic acids Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Piperazine-1-carboxylic acid - Azetidinecarboxylic acid - Delta-lactam - Piperidinone - 1,4-diazinane - Piperazine - Piperidine - Carbamic acid ester - Lactam - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
INCHI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-4-7(12)8(13)11-5-6/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKey	FMTWZULNMBYWPQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2CC1C(=O)NC2
Isomeric SMILES	CC(C)(C)OC(=O)N1C2CC1C(=O)NC2
PubChem CID	72207254
Molecular Weight	212.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.250 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	212.116 Da
Monoisotopic Mass	212.116 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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