5-Aminoorotic Acid - ≥98% , CAS No.7164-43-4

CAS: 7164-43-4 Cat. No.: A105550 Peso molecular: 171.11 Beilstein Registry Number: 25264 Número EC: 230-514-2
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
2,5-Heptadien-4-one, 2,6-dimethyl- | 5-amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid | 5-Methyl-1,3-benzenediol | BBL027999 | Orotic acid, 5-amino- (VAN) | 5-Aminoorotic acid | 5-amino-orotic acid | MFCD00010563 | SCHEMBL190140 | STK80313
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
A105550-5g
6
12,90US$
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

5-Aminoorotic acid forms complexes with cerium (III), lanthanum (III) and neodymium (III)[1]. It reacts with dianhydride of ethylenedinitrilotetraacetic acid in dry DMF or DMSO to yield functionalized dicarboxamide derivatives


Application:

5-Aminoorotic acid was used as an internal standard during the electrochemical determination of orotic acid

Specifications

Sinónimos
2, 5-Heptadien-4-one, 2, 6-dimethyl- | 5-amino-1, 2, 3, 6-tetrahydro-2, 6-dioxo-4-pyrimidinecarboxylic acid | 5-Methyl-1, 3-benzenediol | BBL027999 | Orotic acid, 5-amino- (VAN) | 5-Aminoorotic acid | 5-amino-orotic acid | MFCD00010563 | SCHEMBL190140 | STK80313
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488184750
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184750
Sonrisas canónicasC1(=C(NC(=O)NC1=O)C(=O)O)N
IUPAC Name5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChIKeyHWCXJKLFOSBVLH-UHFFFAOYSA-N
INCHI1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
Isómeros SMILES C1(=C(NC(=O)NC1=O)C(=O)O)N
WGK Alemania 3
RTECS RM3190000
Peso molecular 171.11
Beilstein 25264
Reaxy-Rn 181934
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=181934&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives
Direct ParentPyrimidinecarboxylic acids
Alternative Parents Hydropyrimidine carboxylic acids and derivatives  Pyrimidones  Aminopyrimidines and derivatives  Vinylogous amides  Heteroaromatic compounds  Ureas  Amino acids  Lactams  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organooxygen compounds  Organopnictogen compounds  Hydrocarbon derivatives  Organic oxides  Primary amines  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Lactam - Urea - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeFechaArticulo
H2427076Certificate of AnalysisAug 13, 2024 A105550
H2305176Certificate of AnalysisJul 21, 2023 A105550
F2328198Certificate of AnalysisJun 16, 2023 A105550
F2328203Certificate of AnalysisJun 16, 2023 A105550
B2324110Certificate of AnalysisMar 02, 2023 A105550
E1822134Certificate of AnalysisApr 08, 2022 A105550
E1822118Certificate of AnalysisApr 08, 2022 A105550
Propiedades químicas y físicas
Punto de fusión (°C)>300 °C (lit.)
Peso molecular171.110 g/mol
XLogP3-1.200
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass171.028 Da
Monoisotopic Mass171.028 Da
Topological Polar Surface Area122.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity306.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Jing Neng, Jiayuan Tan, Kan Jia, Peilong Sun.  (2017)  A Fast and Cost-Effective Detection of Melamine by Surface Enhanced Raman Spectroscopy Using a Novel Hydrogen Bonding-Assisted Supramolecular Matrix and Gold-Coated Magnetic Nanoparticles.  Applied Sciences-Basel,  (5): (475).  [PMID:] [10.3390/app7050475]
2. Ying Xu, Ben Zhang, Linlin Zhao, Yuanchen Cui.  (2012)  Synthesis of polyaspartic acid/5-aminoorotic acid graft copolymer and evaluation of its scale inhibition and corrosion inhibition performance.  DESALINATION,      [PMID:] [10.1016/j.desal.2012.11.026]
Calculadoras de soluciones
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