(S)-(+)-2-Indolinemethanol - ≥97% , CAS No.27640-33-1

CAS: 27640-33-1 Cat. No.: I169211 Summenformel: C₉H₁₁NO Molekulargewicht: 149.19 EG-Nummer: 622-582-0

GRADE & PURITY ≥97%

Synonyms

DTXSID10426232 | (S)-(+)-2-Indolinemethanol | J-016834 | (S)-(+)-2-Indolinemethanol, 97% | [(2S)-2,3-dihydro-1H-indol-2-yl]methanol | (S)-Indolin-2-ylmethanol | AC5785 | (S)-(+)-Indoline-2-Methanol | (S)-2-Indolinemethanol | AKOS006350051 | MFCD02683225 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

DTXSID10426232 | (S)-(+)-2-Indolinemethanol | J-016834 | (S)-(+)-2-Indolinemethanol, 97% | [(2S)-2,3-dihydro-1H-indol-2-yl]methanol | (S)-Indolin-2-ylmethanol | AC5785 | (S)-(+)-Indoline-2-Methanol | (S)-2-Indolinemethanol | AKOS006350051 | MFCD02683225 |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504764406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764406
• Kanonisches Lächeln: C1C(NC2=CC=CC=C21)CO
• IUPAC Name: [(2S)-2,3-dihydro-1H-indol-2-yl]methanol
• InChIKey: GRPOFAKYHPAXNP-QMMMGPOBSA-N
• INCHI: 1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,8,10-11H,5-6H2/t8-/m0/s1
• Isomere SMILES: C1[C@H](NC2=CC=CC=C21)CO
• WGK Deutschland: 3
• Molekulargewicht: 149.19
• Reaxy-Rn: 4132530
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4132530&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - 1,2-aminoalcohol - Azacycle - Secondary amine - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Chemische und physikalische Eigenschaften

• Spezifische Drehung [α]: [α]20/D +52°, c = 1 in ethanol
• Schmelzpunkt (°C): 66.0-70.0℃
• Molekulargewicht: 149.190 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

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. Refrigerated storage is required to maintain the specified shelf life.

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 27640-33-1, the molecular formula is C9H11NO, and the molecular weight is 149.19 g/mol. InChIKey GRPOFAKYHPAXNP-QMMMGPOBSA-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.