cis-3-Hydroxycyclobutanecarbonitrile - ≥97% , CAS No.88315-79-1

CAS: 88315-79-1 Cat. No.: C634881 Formule: C₅H₇NO Poids moléculaire: 97.11 Numéro 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

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 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528776450
• Sourires canoniques: 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
• Isomères SMILES: C1C(CC1O)C#N
• CAS alternatif: 20249-17-6
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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