Allantoin

Name: Allantoin
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 756

CAS 97-59-6C4H6N4O3MW 158.04 g/mol

Allantoin (CAS 97-59-6) — formula C4H6N4O3, molecular weight 158.04 g/mol.

Specifications

CAS Number97-59-6

Molecular FormulaC4H6N4O3

Molecular Weight158.04 g/mol

Melting Point239 °C /Racemic form/

LogP-2.2

Purchase Profile

What this product is

Allantoin is a chemical compound with CAS registry number 97-59-6 and molecular formula C4H6N4O3 (molecular weight 158.04 g/mol).

Identification

CAS number: 97-59-6

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

Also known as: Allantoin

Frequently Asked Questions

What is the CAS number of Allantoin?

The CAS registry number of Allantoin is 97-59-6.

What is the molecular formula and molecular weight of Allantoin?

Molecular formula C4H6N4O3, molecular weight 158.04 g/mol.

What other names is Allantoin known by?

It is also registered under: Allantoin.

PubChem Public Data

Public-database records for Allantoin (CAS 97-59-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

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

Regulatory listings

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)

Reported physical properties

熔点	239 °C /Racemic form/
熔点	MP: 230 °C (decomposes)
熔点	239 °C
溶解度	In water, 5.26X10+3 mg/L at 25 °C
溶解度	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]+

How this substance is indexed

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

Names this substance appears under

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

Computed molecular descriptors

分子量	158.12
XLogP3	-2.2
氢键供体数	4
氢键受体数	3
可旋转键数	1
精确质量	158.04399007
单同位素质量	158.04399007
拓扑极性表面积	113
重原子数	11
形式电荷	0

Database abstract

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. 熔点: 239 °C /Racemic form/; 熔点: MP: 230 °C (decomposes); 熔点: 239 °C.

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

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