4-{6-[4-(diethylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylazaniumyl)propyl]pyridin-1-ium dibromide

• ChemBase编号: 158609
• 分子式: C30H45Br2N3
• 平均质量: 607.5064
• 单一同位素质量: 605.19802246
• SMILES: CCN(CC)c1ccc(cc1)/C=C/C=C/C=C/c1cc[n+](cc1)CCC[N+](CC)(CC)CC.[Br-].[Br-]
• Canonical SMILES: CCN(c1ccc(cc1)/C=C/C=C/C=C/c1cc[n+](cc1)CCC[N+](CC)(CC)CC)CC.[Br-].[Br-]
• InChI: InChI=1S/C30H45N3.2BrH/c1-6-32(7-2)30-20-18-28(19-21-30)16-13-11-12-14-17-29-22-25-31(26-23-29)24-15-27-33(8-3,9-4)10-5;;/h11-14,16-23,25-26H,6-10,15,24,27H2,1-5H3;2*1H/q+2;;/p-2
• InChIKey: AFVSZGYRRUMOFH-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 4-{6-[4-(diethylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylazaniumyl)propyl]pyridin-1-ium dibromide
• IUPAC传统名: 4-{6-[4-(diethylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylammonio)propyl]pyridin-1-ium dibromide
• 别名: N-(3-Triethylammoniopropyl)-4-(6-(4-(diethylamino)phenyl) hexatrienyl)pyridinium dibromide; Pyridinium, 4-[6-[4-(diethylamino)phenyl]- 1,3,5-hexatrienyl]-1-[3-(triethylammonio) propyl]-, dibromide; SynaptoRed™ C2

登记号

• CAS号: 162112-35-8
• MDL号: MFCD00467819
• PubChem SID: 162252745
• PubChem CID: 6508728

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.3731315
• LogD (pH = 7.4): -1.9930006
• Log P: -1.9851713
• 摩尔折射率: 163.1182 cm^3
• 极化性: 56.346252 Å^3
• 极化表面积: 7.12 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: soluble10 mg/mL
• 外观: deep purple solid

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C30H45Br2N3

详细说明

Sigma Aldrich - S6689

Biochem/physiol Actions
Fluorescent dye suitable for monitoring synaptic activity at neuromuscular junctions.
法律信息
SynaptoRed is a trademark of Biotium, Inc.