PURPLE (CAS 97-59-6) — formula C4H6N4O3, molecular weight 158.12; category organic chemicals.
PURPLE (CAS 97-59-6) is a chemical raw material in the organic chemicals category. Its molecular formula C4H6N4O3 comprises 4 C, 6 H, 4 N, 3 O atoms. Its molecular weight is about 158.12. Reported physicochemical data: melting point around 239 °C /Racemic form/, LogP about -2.2. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 97-59-6 |
|---|---|
| Molecular Formula | C4H6N4O3 |
| Molecular Weight | 158.12 |
| Melting Point | 239 °C /Racemic form/ |
| LogP | -2.2 |
| Applications | CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, Used as a medicine for wound healing, in biochemical research |
| Category | Organic Chemicals |
Documented applications: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, Used as a medicine for wound healing, in biochemical research.
PURPLE is a carbon-based organic compound with CAS registry number 97-59-6 and molecular formula C4H6N4O3 (molecular weight 158.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97-59-6
Its molecular formula C4H6N4O3 comprises 4 C, 6 H, 4 N, 3 O atoms.
Also known as: PURPLE
Category: organic chemicals
The CAS registry number of PURPLE is 97-59-6.
Molecular formula C4H6N4O3, molecular weight 158.12.
It is also registered under: PURPLE.
Recorded applications: CIR ingredient: Allantoin, Occurs naturally in tobacco seeds, sugar beets, and wheat sprouts, Used as a medicine for wound healing, in biochemical research.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for PURPLE (CAS 97-59-6), compiled from public chemistry databases.
| CAS Number | 97-59-6 |
|---|---|
| PubChem CID | 204 |
| Molecular Formula | C4H6N4O3 |
| Molecular Weight | 158.04 g/mol |
| IUPAC Name | (2,5-dioxoimidazolidin-4-yl)urea |
| InChIKey | POJWUDADGALRAB-UHFFFAOYSA-N |
| UNII (FDA) | 344S277G0Z |
| 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 |
| 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 Ų [M-H]- |
| Collision Cross Section | 143.3 Ų [M+Na]+ |
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 & food contact | CIR / INCI: Cosmetic ingredients (Allantoin) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS notifications | 86.9% (319 / 367) |
| GHS notifications | 86.9% (319 / 367) |
|---|---|
| Notified hazard statements | H302 (13.1%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: PURPLE