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[³H]CGP27492 , CAS No.H614073
Basic Description
Synonyms
BDBM24184 | DTXSID201336775 | Phosphinic acid, (3-aminopropyl) | 3-Aminopropanephosphinic acid | UNII-QMT5SS3QRE | (3-aminopropyl)(hydroxy)oxo-$l^{5}-phosphanylium | AKOS006337792 | [3H]CGP27492 | [3H]-CGP27492 | PDSP1_001484 | QMT5SS3QRE | CGA-147823 | (
Specifications & Purity
Moligand™
Grade
Moligand™
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organophosphorus compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organophosphorus compounds
Alternative Parents
Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(3-aminopropyl)(hydroxy)oxo-$l^{5}-phosphanylium
INCHI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKey
MQIWYGZSHIXQIU-UHFFFAOYSA-O
Smiles
NCCC[P+](=O)O
Isomeric SMILES
C(CN)C[P+](=O)O
PubChem CID
6335948
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
122.080 g/mol
XLogP3
-1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
122.037 Da
Monoisotopic Mass
122.037 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
7
Formal Charge
1
Complexity
66.000
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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