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3-Amino-2-azepanone - 97%, high purity , CAS No.671-42-1

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3-Amino-2-azepanone - 97%, high purity , CAS No.671-42-1

COA

Grade & Purity:

≥97%

Cas Number: 671-42-1
Molecular Weight: 128.17
MDL number: MFCD00064475
PubChem CID: 102463

In stock

Item Number

A107959

Grouped product items
SKU	Size	Availability	Price
A107959-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
A107959-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
A107959-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90

View related series

amide (313) Non heterocyclic block (8163)

Basic Description

Synonyms	FT-0627637 \| D-Lysine lactam \| 3-Amino-2-azepanone \| (+/-)-alpha-Amino-omega-caprolactam \| EINECS 211-584-3 \| 2-aminohexano-6-lactam \| A1003 \| FT-0687401 \| ((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepines
Alternative Parents	Cyclic carboximidic acids Lactims Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azepine - Cyclic carboximidic acid - Lactim - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors	amino acid amide - caprolactams
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-aminoazepan-2-one
INCHI	InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
InChIKey	BOWUOGIPSRVRSJ-UHFFFAOYSA-N
Smiles	C1CCNC(=O)C(C1)N
Isomeric SMILES	C1CCNC(=O)C(C1)N
UN Number	3263
Molecular Weight	128.17
Reaxy-Rn	80945
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80945&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	Air & Moisture Sensitive
Boil Point(°C)	172°C
Melt Point(°C)	77°C
Molecular Weight	128.169 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.095 Da
Monoisotopic Mass	128.095 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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