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tert-butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate - 97%, high purity , CAS No.1784807-21-1

COA

Grade & Purity:

≥97%

Cas Number: 1784807-21-1
Molecular Weight: 240.3
EC Number: 886-764-3
PubChem CID: 84701993

In stock

Item Number

T630441

Grouped product items
SKU	Size	Availability	Price
T630441-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90
T630441-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$369.90
T630441-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$616.90
T630441-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,111.90

Basic Description

Synonyms	3-Boc-7-oxo-3,6-diazabicyclo[3.2.2]nonane \| CS-0036695 \| tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate \| 1784807-21-1 \| AS-71061 \| SY124270 \| AKOS024109046 \| MFCD28534913 \| W14624 \| A936252 \| tert-Butyl7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazepanes
    - Subclass 1,4-diazepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazepanes
Subclass	1,4-diazepanes
Intermediate Tree Nodes	Not available
Direct Parent	1,4-diazepanes
Alternative Parents	Piperidinones Delta lactams Azepanes N-acyl amines Carbamate esters Organic carbonic acids and derivatives Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinone - Delta-lactam - Azepane - 1,4-diazepane - Fatty acyl - Piperidine - N-acyl-amine - Fatty amide - Carbamic acid ester - Carbonic acid derivative - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
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 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
INCHI	InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-5-9(7-14)13-10(8)15/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKey	PDTLUVMGYJWBHZ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CCC(C1)NC2=O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2CCC(C1)NC2=O
Alternate CAS	1784807-21-1
PubChem CID	84701993
Molecular Weight	240.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.300 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	240.147 Da
Monoisotopic Mass	240.147 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	335.000
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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