[2-(acetyloxy)-3-carboxypropyl]trimethylazanium chloride

• ChemBase编号: 104083
• 分子式: C9H18ClNO4
• 平均质量: 239.69652
• 单一同位素质量: 239.09243574
• SMILES: [Cl-].CC(=O)OC(CC(=O)O)C[N+](C)(C)C
• Canonical SMILES: OC(=O)CC(C[N+](C)(C)C)OC(=O)C.[Cl-]
• InChI: InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H
• InChIKey: JATPLOXBFFRHDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(acetyloxy)-3-carboxypropyl]trimethylazanium chloride
• IUPAC传统名: [2-(acetyloxy)-3-carboxypropyl]trimethylazanium chloride
• 别名: (±)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride; Acetyl-DL-carnitine hydrochloride; ACETYL-DL-CARNITINE; R-(-)-2-Acetyloxy-3-carboxy-N,N,N-trimethyl-1-propanaminium chloride; O-ACETYL-L-CARNITINE CHLORIDE

登记号

• CAS号: 5080-50-2; 2504-11-2
• EC号: 219-709-3
• MDL号: MFCD00080826
• PubChem SID: 162091497; 24890552
• PubChem CID: 197763

理论计算性质

• Acid pKa: 4.0894065
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.6895492
• LogD (pH = 7.4): -3.6760247
• Log P: -4.4463806
• 摩尔折射率: 61.7997 cm^3
• 极化性: 20.135317 Å^3
• 极化表面积: 63.6 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 194°C (decomposes)

安全信息

• 保存条件: 0°C; 2-8°C
• RTECS编号: BP2979200
• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: >99%

详细说明

MP Biomedicals - 02154690

Hydrochloride Crystalline

MP Biomedicals - 02159062

Purity: >99%
A cholinergic agonist that stimulates neuronal response to serotonin and acetylcholine.

Sigma Aldrich - A1509

Biochem/physiol Actions
Weak cholinergic receptor agonist; intermediate in lipid metabolism.