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1-(3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone - 97%, high purity , CAS No.1474024-25-3

COA

Grade & Purity:

≥97%

Cas Number: 1474024-25-3
Molecular Weight: 140.18
PubChem CID: 72478328

In stock

Item Number

E629392

Grouped product items
SKU	Size	Availability	Price
E629392-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
E629392-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
E629392-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
E629392-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
E629392-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1474024-25-3 \| 1-{3,6-diazabicyclo[3.1.1]heptan-6-yl}ethan-1-one \| 1-(3,6-Diazabicyclo[3.1.1]heptan-6-yl)ethan-1-one \| 1-(3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone \| SCHEMBL21593659 \| MFCD28362070 \| SB40963 \| BS-43336 \| P18912 \| 1-{3,6-DIAZABICYCLO[3.1.
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Piperazines
Alternative Parents	Piperidines Tertiary carboxylic acid amides Acetamides Azetidines Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperazine - Piperidine - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
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	1-(3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
INCHI	InChI=1S/C7H12N2O/c1-5(10)9-6-2-7(9)4-8-3-6/h6-8H,2-4H2,1H3
InChIKey	XRNSOELZDRRIDZ-UHFFFAOYSA-N
Smiles	CC(=O)N1C2CC1CNC2
Isomeric SMILES	CC(=O)N1C2CC1CNC2
PubChem CID	72478328
Molecular Weight	140.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.180 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.095 Da
Monoisotopic Mass	140.095 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159.000
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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