2,5-Dioxo-4-imidazolyl urea

CAS 97-59-6C4H6N4O3MW 158.12

2,5-Dioxo-4-imidazolyl urea (CAS 97-59-6) — formula C4H6N4O3, molecular weight 158.12.

Product Overview

CAS Number	97-59-6
Molecular Formula	C4H6N4O3
Molecular Weight	158.12
Melting Point	239 °C /Racemic form/
LogP	-2.2

Technical Profile

What this product is

2,5-Dioxo-4-imidazolyl urea is a chemical compound with CAS registry number 97-59-6 and molecular formula C4H6N4O3 (molecular weight 158.12).

Identification

CAS number: 97-59-6

Its molecular formula C4H6N4O3 comprises 4 C, 6 H, 4 N, 3 O atoms.

Also known as: 2,5-Dioxo-4-imidazolyl urea · 尿囊素

Frequently Asked Questions

What is the CAS number of 2,5-Dioxo-4-imidazolyl urea?

The CAS registry number of 2,5-Dioxo-4-imidazolyl urea is 97-59-6.

What is the molecular formula and molecular weight of 2,5-Dioxo-4-imidazolyl urea?

Molecular formula C4H6N4O3, molecular weight 158.12.

What other names is 2,5-Dioxo-4-imidazolyl urea known by?

It is also registered under: 2,5-Dioxo-4-imidazolyl urea, 尿囊素.

PubChem Public Data

Independent reference data for 2,5-Dioxo-4-imidazolyl urea (CAS 97-59-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	97-59-6
PubChem CID	204
分子式	C4H6N4O3
分子量	158.04 g/mol
IUPAC 名称	(2,5-dioxoimidazolidin-4-yl)urea
InChIKey	POJWUDADGALRAB-UHFFFAOYSA-N
UNII（FDA）	344S277G0Z
ChEBI 编号	CHEBI:15676

Computed descriptors

Molecular Weight	158.12
XLogP3	-2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.04399007
Monoisotopic Mass	158.04399007
Topological Polar Surface Area	113
Heavy Atom Count	11

Physicochemical values on record

Melting Point	239 °C /Racemic form/
Melting Point	MP: 230 °C (decomposes)
Melting Point	239 °C
Solubility	In water, 5.26X10+3 mg/L at 25 °C
Solubility	5.26 mg/mL
pH	pH = 4.5 - 6 (5% in water, 20 °C)
Collision Cross Section	126.7 Å² [M-H]-
Collision Cross Section	143.3 Å² [M+Na]+

Synonyms and trade names

allantoin; 97-59-6; 5-Ureidohydantoin; Glyoxyldiureide; Cordianine; Glyoxyldiureid; Allantol; Sebical; Alantan; AVC/Dienestrolcream; Psoralon; Septalan; Urea, (2,5-dioxo-4-imidazolidinyl)-; (2,5-Dioxo-4-imidazolidinyl)urea; (2,5-dioxoimidazolidin-4-yl)urea; Cutemol emollient

Regulatory listings held on file

法规与食品接触	CIR / INCI: Cosmetic ingredients (Allantoin) -> CIR (Cosmetic Ingredient Review)
GHS 通报统计	86.9% (319 / 367)

GHS hazard classification

GHS 通报统计	86.9% (319 / 367)
已通报的危害声明	H302 (13.1%)

What the public record says

尿囊素的 CAS 号为 97-59-6，分子式 C4H6N4O3，分子量 158.04 g/mol。 UNII 344S277G0Z; ChEBI 15676; InChIKey POJWUDADGALRAB-UHFFFAOYSA-N. Melting Point: 239 °C /Racemic form/; Melting Point: MP: 230 °C (decomposes); Melting Point: 239 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

2,5-Dioxo-4-imidazolyl urea

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Synonyms and trade names

Regulatory listings held on file

GHS hazard classification

What the public record says

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