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Urea, C-14 , Diagnostic agent, CAS No.594-05-8, Diagnostic agent
Basic Description
Synonyms
Urea-14C | UREA C 14 [USP IMPURITY] | UNII-WBZ6M63TEE | carbon 14 urea | CHEMBL2096635 | 14C-urea | D10496 | diamino(114C)methanone | Urea (14C) | CHEBI:134711 | Urea C-14 | DB09513 | Urea C 14 [USP] | carbon-14 urea | UREA, [14C] | Pytest | Urea C14 (USP
Mechanism of action
Diagnostic agent
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Subclass
Ureas
Intermediate Tree Nodes
Not available
Direct Parent
Ureas
Alternative Parents
Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
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
IUPAC Name
diamino(114C)methanone
INCHI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2
InChIKey
XSQUKJJJFZCRTK-NJFSPNSNSA-N
Smiles
C(=O)(N)N
Isomeric SMILES
[14C](=O)(N)N
Molecular Weight
62.048
Reaxy-Rn
1700366
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700366&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
62.048 g/mol
XLogP3
-1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
62.0356 Da
Monoisotopic Mass
62.0356 Da
Topological Polar Surface Area
69.100 Ų
Heavy Atom Count
4
Formal Charge
0
Complexity
29.000
Isotope Atom Count
1
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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