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Porphobilinogen - ≥97%, high purity , CAS No.487-90-1
Basic Description
Specifications & Purity
≥97%
Storage Temp
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
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Not available
Direct Parent
Aralkylamines
Alternative Parents
Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aralkylamine - Dicarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organopnictogen compound - Primary amine - Organooxygen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors
dicarboxylic acid - pyrroles - aralkylamino compound
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
IUPAC Name
3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
INCHI
InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
InChIKey
QSHWIQZFGQKFMA-UHFFFAOYSA-N
Smiles
C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
Isomeric SMILES
C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
WGK Germany
3
PubChem CID
1021
Molecular Weight
226.23
Beilstein
220051
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.230 g/mol
XLogP3
-3.500
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
226.095 Da
Monoisotopic Mass
226.095 Da
Topological Polar Surface Area
116.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
270.000
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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