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4-(3-Pyrrolyl)butyric acid - ≥94%, high purity , CAS No.30000-61-4
Basic Description
Synonyms
J-017732 | SCHEMBL1278387 | 4-(1H-pyrrol-3-yl)-butyric acid | CS-0433610 | (PYRROLYL-3)-4 BUTANOIC ACID | 4-(3-Pyrrolyl)butyric acid, 95% | 4-(3-PYRROLYL)BUTYRIC ACID | pyrrole-3-butyric acid | DTXSID80292289 | FT-0703586 | 4-(1H-pyrrol-3-yl)butanoic acid
Specifications & Purity
≥94%
Storage Temp
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Substituted pyrroles
Alternative Parents
Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Substituted pyrrole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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.
Names and Identifiers
Pubchem Sid
504758155
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758155
IUPAC Name
4-(1H-pyrrol-3-yl)butanoic acid
INCHI
InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
InChIKey
ZILGRACWFSKIFU-UHFFFAOYSA-N
Smiles
C1=CNC=C1CCCC(=O)O
Isomeric SMILES
C1=CNC=C1CCCC(=O)O
WGK Germany
3
PubChem CID
255668
Molecular Weight
153.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light sensitive；heat sensitive
Melt Point(°C)
91-95° C (lit.)
Molecular Weight
153.180 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
153.079 Da
Monoisotopic Mass
153.079 Da
Topological Polar Surface Area
53.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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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I2304476