1-(2-Hydroxyethyl)pyrrole - ≥97% , CAS No.6719-02-4

CAS: 6719-02-4 Cat. No.: H140284 Formule: C₆H₉NO Poids moléculaire: 111.14 Numéro CE: 679-986-5

GRADE & PURITY ≥97%

Synonyms

SCHEMBL467081 | 2-pyrrol-1-ylethanol | 2-pyrrol-1-yl-ethanol | 2-(1-pyrrolyl)-1-ethanol | 2-(1H-Pyrrol-1-yl)ethanol, AldrichCPR | DTXSID90450313 | AKOS005207102 | F2147-0152 | H0826 | 2-(1H-pyrrol-1-yl)ethan-1-ol | SB62118 | 2-(1H-pyrrol-1-yl)ethanol | MF

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL467081 | 2-pyrrol-1-ylethanol | 2-pyrrol-1-yl-ethanol | 2-(1-pyrrolyl)-1-ethanol | 2-(1H-Pyrrol-1-yl)ethanol, AldrichCPR | DTXSID90450313 | AKOS005207102 | F2147-0152 | H0826 | 2-(1H-pyrrol-1-yl)ethan-1-ol | SB62118 | 2-(1H-pyrrol-1-yl)ethanol | MF

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504765815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765815

Sourires canoniques

C1=CN(C=C1)CCO

IUPAC Name

2-pyrrol-1-ylethanol

InChIKey

ZIOLCZCJJJNOEJ-UHFFFAOYSA-N

INCHI

1S/C6H9NO/c8-6-5-7-3-1-2-4-7/h1-4,8H,5-6H2

Isomères SMILES

C1=CN(C=C1)CCO

Poids moléculaire

111.14

Reaxy-Rn

107973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

• Sensibilité: Light Sensitive；Moisture Sensitive
• Indice de réfraction: 1.5170-1.5210
• Point d'éclair (°C): 73 °C
• Point d'ébullition (°C): 215℃
• Poids moléculaire: 111.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 111.068 Da
• Monoisotopic Mass: 111.068 Da
• Topological Polar Surface Area: 25.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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