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4-(2-(Dimethylamino)ethyl)-1，4-diazepan-5-one - ≥97%, high purity , CAS No.344779-07-3

COA

Grade & Purity:

≥97%

Cas Number: 344779-07-3
Molecular Weight: 185.27
PubChem CID: 3362131

In stock

Item Number

E708659

Grouped product items
SKU	Size	Availability	Price	Qty
E708659-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,659.90

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 Beta 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	Beta amino acids and derivatives
Alternative Parents	1,4-diazepanes Tertiary carboxylic acid amides Trialkylamines Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Beta amino acid or derivatives - 1,4-diazepane - Diazepane - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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	4-[2-(dimethylamino)ethyl]-1,4-diazepan-5-one
INCHI	InChI=1S/C9H19N3O/c1-11(2)7-8-12-6-5-10-4-3-9(12)13/h10H,3-8H2,1-2H3
InChIKey	NEYJQNBUBDIATQ-UHFFFAOYSA-N
Smiles	CN(C)CCN1CCNCCC1=O
Isomeric SMILES	CN(C)CCN1CCNCCC1=O
PubChem CID	3362131
Molecular Weight	185.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	185.270 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.153 Da
Monoisotopic Mass	185.153 Da
Topological Polar Surface Area	35.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170.000
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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4-(2-(Dimethylamino)ethyl)-1，4-diazepan-5-one - ≥97%, high purity , CAS No.344779-07-3

Basic Description