trans-3-hydroxycyclobutanecarbonitrile - ≥97% , CAS No.88315-80-4

CAS: 88315-80-4 Cat. No.: T634882 Fórmula: C₅H₇NO Peso molecular: 97.11 Número CE: 857-011-6

GRADE & PURITY ≥97%

Synonyms

SY344049 | SY033823 | DTXSID901293112 | AMY34857 | MFCD30802788 | Ossazepam [DCIT] | Cyclobutanecarbonitrile, 3-hydroxy- | MMJQJSQOTGZCHX-SYDPRGILSA-N | Cyclobutanecarbonitrile, 3-hydroxy-, cis- | FT-0718131 | (1R,3R)-3-hydroxycyclobutane-1-carbonitrile |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY344049 | SY033823 | DTXSID901293112 | AMY34857 | MFCD30802788 | Ossazepam [DCIT] | Cyclobutanecarbonitrile, 3-hydroxy- | MMJQJSQOTGZCHX-SYDPRGILSA-N | Cyclobutanecarbonitrile, 3-hydroxy-, cis- | FT-0718131 | (1R,3R)-3-hydroxycyclobutane-1-carbonitrile |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1C(CC1O)C#N
• IUPAC Name: 3-hydroxycyclobutane-1-carbonitrile
• InChIKey: MMJQJSQOTGZCHX-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2
• SMILES isoméricas: C1C(CC1O)C#N
• CAS alternativo: 20249-17-6
• Peso molecular: 97.11
• Reaxy-Rn: 2074784
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2074784&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Cyclobutanol - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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

Propriedades químicas e físicas

• Peso molecular: 97.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.0528 Da
• Monoisotopic Mass: 97.0528 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 106.000
• 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

Perguntas frequentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 88315-80-4, the molecular formula is C5H7NO, and the molecular weight is 97.11 g/mol. InChIKey MMJQJSQOTGZCHX-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.