trimethyl[10-(trimethylazaniumyl)decyl]azanium dibromide

• ChemBase编号: 105924
• 分子式: C16H38Br2N2
• 平均质量: 418.29432
• 单一同位素质量: 416.14017323
• SMILES: [Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-]
• Canonical SMILES: C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-]
• InChI: InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
• InChIKey: HLXQFVXURMXRPU-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: trimethyl[10-(trimethylazaniumyl)decyl]azanium dibromide
• IUPAC传统名: decamethonium dibromide
• 别名: 溴化十烃季胺; 溴化癸烷双胺; 十烃溴铵; Decamethonium bromide; Decamethylene bis(trimethylammonium bromide); Decane-1,10-bis(trimethylammonium bromide); Syncurine; DECAMETHONIUM BROMIDE

登记号

• CAS号: 541-22-0
• EC号: 208-772-2
• MDL号: MFCD00011779
• Beilstein号: 3728288
• PubChem SID: 24277833; 162089005; 24858410
• PubChem CID: 10921

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -4.8711247
• LogD (pH = 7.4): -4.8711247
• Log P: -4.8711247
• 摩尔折射率: 106.9504 cm^3
• 极化性: 33.17625 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: off-white crystalline
• 熔点: ~270 °C (dec.); 263-267 °C(lit.)
• 紫外吸收波长: λ: 240 nm Amax: 0.04; λ: 250 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BP5950000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25-36/37/38
• 安全公开号: 26-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

药理学性质

• 作用靶点: AChR
• 相关基因信息: human ... CHRNA1(1134), CHRNA10(57053), CHRNA2(1135), CHRNA3(1136), CHRNA4(1137), CHRNA5(1138), CHRNA6(8973), CHRNA7(1139), CHRNA9(55584), CHRNB1(1140), CHRNB2(1141), CHRNB3(1142), CHRNB4(1143)

产品相关信息

• 纯度: ≥98.0% (AT); ≥99.0% (AT); 98%
• 级别: for ion pair chromatography; purum
• 成盐信息: Bromide
• 适用性: corresponds to standard for filter test
• λ: 10 % in H2O
• 线性分子式: (CH3)3N(Br)(CH2)10N(Br)(CH3)3

详细说明

MP Biomedicals - 02195122

Off-white crystals
Skeletal muscle relaxant.

MP Biomedicals - 05208930

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D1260

包装
5, 10, 25 g in glass bottle
Biochem/physiol Actions
Nicotinic acetylcholine receptor partial agonist and neuromuscular blocking agent; depolarizes striated muscles and blocks their activity.