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

CAS: 3569-21-9 Cat. No.: I157601 Molecular Weight: 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

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-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755146
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755146
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CCCO
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.6
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 200°C/2mmHg(lit.)
• Molecular Weight: 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