1,4-Diazepan-2-one - ≥97% , CAS No.99822-50-1

CAS: 99822-50-1 Cat. No.: D196180 Formula: C₅H₁₀N₂O Peso molecolare: 114.15 Numero EC: 886-412-9

GRADE & PURITY ≥97%

Synonyms

AM804637 | SY032794 | ZDA82250 | AB30280 | 1,4-Diazepan-2-one, AldrichCPR | TS-01580 | perhydro-1,4-diazepin-2-one | 1-(2-Thiazolyl)piperazinedihydrochloride | 2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO- | 1,4-diazepan-2-one | [1,4]Diazepan-2-one | EN300-65529 | FT

Shipped In

Normal

Specifications

Sinonimi

AM804637 | SY032794 | ZDA82250 | AB30280 | 1,4-Diazepan-2-one, AldrichCPR | TS-01580 | perhydro-1,4-diazepin-2-one | 1-(2-Thiazolyl)piperazinedihydrochloride | 2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO- | 1,4-diazepan-2-one | [1,4]Diazepan-2-one | EN300-65529 | FT

Specifiche e purezza

≥97%

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1CNCC(=O)NC1
• IUPAC Name: 1,4-diazepan-2-one
• InChIKey: DRRVROVYLJHJIV-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O/c8-5-4-6-2-1-3-7-5/h6H,1-4H2,(H,7,8)
• Isomeri SMILES: C1CNCC(=O)NC1
• CAS alternativo: 1056010-05-9
• Peso molecolare: 114.15
• Reaxy-Rn: 5919674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5919674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: 1,4-diazepanes Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 1,4-diazepane - Diazepane - Carboxamide group - Secondary carboxylic acid amide - Lactam - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Peso molecolare: 114.150 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.400
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 99822-50-1, the molecular formula is C5H10N2O, and the molecular weight is 114.15 g/mol. InChIKey DRRVROVYLJHJIV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.