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4-苯基丁酸

CAS 1821-12-1C10H12O2MW 164.20

4-苯基丁酸(CAS 1821-12-1):分子式 C10H12O2、分子量 164.20。

产品概览

CAS号1821-12-1
分子式C10H12O2
分子量164.20
熔点47 - 49 °C
沸点290.00 °C. @ 760.00 mm Hg
LogP2.42

技术档案

这个产品是什么

4-苯基丁酸 是一种化工化合物,登记 CAS 号为 1821-12-1,分子式 C10H12O2(分子量 164.20)。

识别信息

登记 CAS 号:1821-12-1

其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。

别名/同义词:4-苯基丁酸 · 4-Phenylbutyric acid

常见问题

4-苯基丁酸 的 CAS 号是多少?

4-苯基丁酸 的 CAS 登记号为 1821-12-1。

4-苯基丁酸 的分子式与分子量是多少?

分子式 C10H12O2,分子量 164.20。

4-苯基丁酸 还有哪些别名?

别名/同义词:4-苯基丁酸、4-Phenylbutyric acid。

PubChem 公开数据

4-苯基丁酸(CAS 1821-12-1)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number1821-12-1
PubChem CID4775
Molecular formulaC10H12O2
IUPAC name4-phenylbutanoic acid
UNII (FDA)7WY7YBI87E

计算分子描述符

Molecular Weight164.20
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3
Heavy Atom Count12

在册的理化数值

Boiling Point290.00 °C. @ 760.00 mm Hg
Melting Point47 - 49 °C
Solubility18 mg/mL
Vapor Pressure0.000664 [mmHg]
LogP2.42
LogP2.32

在册的记载用途

    Phenylbutyric acid is used for the treatment of various conditions, including urea cycle disorders, neonatal-onset deficiency, late-onset deficiency disease in patients with a history of hyperammonemic encephalopathy. Phenylbutyric acid must be combined with dietary protein restriction and, in some cases, essential amino acid supplementation. Phenylbutyric acid, as sodium phenylbutyrate, is used in combination with [tauroursodeoxycholic acid] to treat amyotrophic lateral sclerosis (ALS) in adults.Phenylbutyrate and sodium benzoate are orphan drugs approved for the treatment of hyperammonemia in patients with urea cycle disorders, a series of at least 8 rare genetic enzyme deficiencies. The urea cycle is the major pathway of elimination of excess nitrogen including ammonia, and absence of one of the urea cycle enzymes often causes elevations in serum ammonia which can be severe, life-threatening and result in permanent neurologic damage and cognitive deficiencies. Both phenylbutyrate and sodium benzoate act

    同义词与商品名

    4-PHENYLBUTYRIC ACID; 4-Phenylbutanoic acid; 1821-12-1; Benzenebutanoic acid; Benzenebutyric acid; Phenylbutyric acid; gamma-Phenylbutyric acid; omega-Phenylbutanoic acid; 4-Phenyl-n-butyric acid; CHEBI:41500; omega-phenylbutyric acid; NSC-295; gamma-Phenyl-n-butyric acid; 7WY7YBI87E; NSC295; DTXSID2037631

    GHS 危害分类

    Reported hazard statementsH315 (83.3%), H319 (100%), H335 (75%)

    H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]

    H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    公开数据库对它的描述

    4-Phenylbutyric acid · CAS 1821-12-1 · C10H12O2. UNII 7WY7YBI87E. Boiling Point: 290.00 °C. @ 760.00 mm Hg; Melting Point: 47 - 49 °C; Solubility: 18 mg/mL.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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