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3-Indolepropanol - 98%, high purity , CAS No.3569-21-9
Basic Description
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 Temp
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.
Taxonomic Classification
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504755146
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755146
IUPAC Name
3-(1H-indol-3-yl)propan-1-ol
INCHI
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
InChIKey
LYPSVQXMCZIRGP-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=CN2)CCCO
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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D2001044