3-Indolepropanol - ≥98% , CAS No.3569-21-9

CAS: 3569-21-9 Cat. No.: I157601 Formula: C₁₁H₁₃NO Peso molecolare: 175.23

GRADE & PURITY ≥98%

Synonyms

DTXSID20189200 | 3-(1H-Indol-3-yl)-propan-1-ol | 3-(1H-indol-3-yl)propan-1-ol | SCHEMBL734588 | EN300-110464 | H0680 | 3-Indolepropanol | 3-(3-Hydroxypropyl)-1H-indole, 97% | Indole-3-propanol | SB36807 | 3-(3-Hydroxypropyl)indole | EINECS 222-667-9 | AS-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID20189200 | 3-(1H-Indol-3-yl)-propan-1-ol | 3-(1H-indol-3-yl)propan-1-ol | SCHEMBL734588 | EN300-110464 | H0680 | 3-Indolepropanol | 3-(3-Hydroxypropyl)-1H-indole, 97% | Indole-3-propanol | SB36807 | 3-(3-Hydroxypropyl)indole | EINECS 222-667-9 | AS-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755146
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755146
• Sorrisi canonici: C1=CC=C2C(=C1)C(=CN2)CCCO
• IUPAC Name: 3-(1H-indol-3-yl)propan-1-ol
• InChIKey: LYPSVQXMCZIRGP-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12-13H,3-4,7H2
• Isomeri SMILES: C1=CC=C2C(=C1)C(=CN2)CCCO
• WGK Germania: 3
• Peso molecolare: 175.23
• Reaxy-Rn: 134161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=134161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Indice di rifrazione: 1.6
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 200°C/2mmHg(lit.)
• Peso molecolare: 175.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 175.1 Da
• Monoisotopic Mass: 175.1 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3569-21-9, the molecular formula is C11H13NO, and the molecular weight is 175.23 g/mol. InChIKey LYPSVQXMCZIRGP-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.