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Hydantoin - 98%, high purity , CAS No.461-72-3

3 Citations

COA

Grade & Purity:

≥98%

Cas Number: 461-72-3
Molecular Weight: 100.08
Beilstein Registry Number: 110598
EC Number: 207-313-3
MDL number: MFCD00005259
PubChem CID: 10006
PubChem SID: 488181073

In stock

Item Number

H100923

Grouped product items
SKU	Size	Availability	Price
H100923-25g	25g	4	$19.90
H100923-100g	100g	5	$68.90
H100923-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$71.90

View related series

Five-Membered Heterocyclic Compounds (2064) ureas (94)

Basic Description

Synonyms	HYDANTOIN [WHO-DD] \| AS-10977 \| Dantochlor \| HYDANTOINE \| EN300-18068 \| Hydantoins \| I6208298TA \| SMR000568395 \| MLS001074863 \| Q418082 \| Imidazole-2,4(3H,5H)-dione \| Imidazole-2,5H)-dione \| D70295 \| NSC 9226 \| UNII-I6208298TA \| CHEBI:27612 \| InChI=1/C3H4
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Imidazoles
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Imidazole - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
External Descriptors	an imidazolidine
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	488181073
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181073
IUPAC Name	imidazolidine-2,4-dione
INCHI	InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChIKey	WJRBRSLFGCUECM-UHFFFAOYSA-N
Smiles	C1C(=O)NC(=O)N1
Isomeric SMILES	C1C(=O)NC(=O)N1
WGK Germany	3
RTECS	MT8210000
Molecular Weight	100.08
Beilstein	110598
Reaxy-Rn	110598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110598&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

11 results found

Lot Number	Certificate Type	Date	Item
L2412771	Certificate of Analysis	Jun 25, 2024	H100923
H1421087	Certificate of Analysis	Jun 15, 2022	H100923
D1423006	Certificate of Analysis	Feb 23, 2022	H100923
D1818029	Certificate of Analysis	Feb 23, 2022	H100923
B2311434	Certificate of Analysis	Dec 22, 2021	H100923
B2311433	Certificate of Analysis	Dec 22, 2021	H100923
B2208471	Certificate of Analysis	Dec 22, 2021	H100923
B2208467	Certificate of Analysis	Dec 22, 2021	H100923
B2208468	Certificate of Analysis	Dec 22, 2021	H100923
B2208469	Certificate of Analysis	Dec 22, 2021	H100923
C2508067	Certificate of Analysis	Dec 22, 2021	H100923

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Chemical and Physical Properties

Melt Point(°C)	218-223°C
Molecular Weight	100.080 g/mol
XLogP3	-1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.027 Da
Monoisotopic Mass	100.027 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	120.000
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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