6-[(4-aminobutyl)(ethyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione

• ChemBase编号: 56277
• 分子式: C14H20N4O2
• 平均质量: 276.3342
• 单一同位素质量: 276.1586259
• SMILES: c1c2c(cc(c1)N(CC)CCCCN)c(=O)[nH][nH]c2=O
• Canonical SMILES: NCCCCN(c1ccc2c(c1)c(=O)[nH][nH]c2=O)CC
• InChI: InChI=1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)
• InChIKey: LEOJISUPFSWNMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-[(4-aminobutyl)(ethyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione
• IUPAC传统名: 6-[(4-aminobutyl)(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
• 别名: 4-(N1-乙基-4-氨基丁基氨基)邻苯二甲酰肼; 6-[N-(4-氨基丁基)-N-乙氨基]-2,3-二氢-1,4-邻苯二甲酰肼; N-(4-氨基丁基)-N-乙基异鲁米诺; ABEI; N-(4-Aminobutyl)-N-ethylisoluminol; 6-[(4-Aminobutyl)(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione; 4-(N1-Ethyl-4-aminobutylamino)phthalic hydrazide; 6-[N-(4-Aminobutyl)-N-ethylamino]-2,3-dihydro-1,4-phthalazinedione

登记号

• CAS号: 66612-29-1
• MDL号: MFCD00010559
• Beilstein号: 920895
• PubChem SID: 162061040; 24890404
• PubChem CID: 196441

理论计算性质

• Acid pKa: 13.705204
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.6664019
• LogD (pH = 7.4): -2.2427878
• Log P: 0.36055577
• 摩尔折射率: 79.2518 cm^3
• 极化性: 28.995636 Å^3
• 极化表面积: 87.46 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: 259-260 °C(lit.)

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90%; ≥90% (HPLC)
• 级别: for chemiluminescence
• 杂质: <15% water
• Empirical Formula (Hill Notation): C14H20N4O2

详细说明

Sigma Aldrich - A0156

Features and Benefits
高效的化学发光 NH2-耦合剂，用于低至皮摩尔级的各种蛋白检测。1,2
Other Notes
Reportedly, the use of this material in chemiluminescent assays has distinct advantages over conventional radioimmunoassay.
包装
25, 250 mg in poly bottle

Sigma Aldrich - 269069

Features and Benefits
高效的化学发光 NH2-耦合剂，用于低至皮摩尔级的各种蛋白检测。1,2

Sigma Aldrich - 03000

Features and Benefits
高效的化学发光 NH2-耦合剂，用于低至皮摩尔级的各种蛋白检测。1,2
Other Notes
Used as pre-colummn labeling reagent in HPLC for detection by chemiluminescence. Derivatives are detectable in femtomole amounts3; Important chemiluminescent label used in chemilumicent-based immunoassays and other methods4,5