2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt (CAS 72828-03-6) — formula C19H23N5O3, molecular weight 369.4; category organic chemicals.
2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt is a carbon-based organic compound with CAS registry number 72828-03-6 and molecular formula C19H23N5O3 (molecular weight 369.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72828-03-6
Its molecular formula C19H23N5O3 comprises 19 C, 23 H, 5 N, 3 O atoms.
Also known as: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt
Category: organic chemicals
The CAS registry number of 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt is 72828-03-6.
Molecular formula C19H23N5O3, molecular weight 369.4.
It is also registered under: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt.
Category: Organic Chemicals.
Public-database records for 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-1-sulfo-6-2-(sulfooxy)ethylsulfonyl-2-naphthalenylazo-, tetrasodium salt (CAS 72828-03-6), reproduced here for independent cross-checking.
| 熔点 | 215-217 °C |
|---|---|
| 熔点 | 215 - 217 °C |
| 溶解度 | 31.4 |
| 溶解度 | 3.09e-02 g/L |
| 溶解度 | Water 1 - 2 (mg/mL) |
| 溶解度 | 0.1NHC1 1 - 5 (mg/mL) |
| 溶解度 | 0.1 N NaOH < 1 (mg/mL) |
| 溶解度 | Methanol 12 - 15 (mg/mL) |
| 溶解度 | 95% Ethanol 1 - 5 (mg/mL) |
| 溶解度 | 10% Ethanol 1 - 3 (mg/mL) |
| CAS 号 | 72828-03-6 |
|---|---|
| PubChem CID | 5583 |
| 分子式 | C19H23N5O3 |
| IUPAC 名称 | 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine |
| UNII（FDA） | UPN4ITI8T4 |
trimetrexate; 52128-35-5; Trimetrexato; Trimetrexatum; NSC-249008; NSC 249008; UPN4ITI8T4; DTXSID3023714; 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine; NSC249008; 2,4-Diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline; 5-Methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine; 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)quinazoline-2,4-diamine; 2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-; 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine; 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline
| 分子量 | 369.4 |
|---|---|
| XLogP3 | 2.5 |
| 氢键供体数 | 3 |
| 氢键受体数 | 8 |
| 可旋转键数 | 6 |
| 精确质量 | 369.18008961 |
| 单同位素质量 | 369.18008961 |
| 拓扑极性表面积 | 118 |
| 重原子数 | 27 |
| 形式电荷 | 0 |
活性红180 · CAS 72828-03-6 · C19H23N5O3. UNII UPN4ITI8T4. 熔点: 215-217 °C; 熔点: 215 - 217 °C; 溶解度: 31.4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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