N-(2-aminoethyl)naphthalen-1-amine dihydrochloride

• ChemBase编号: 70438
• 分子式: C12H16Cl2N2
• 平均质量: 259.17484
• 单一同位素质量: 258.06905388
• SMILES: C(CN)Nc1cccc2ccccc12.Cl.Cl
• Canonical SMILES: NCCNc1cccc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
• InChIKey: MZNYWPRCVDMOJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-aminoethyl)naphthalen-1-amine dihydrochloride; N1-(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride
• IUPAC传统名: N-(1-naphthyl)ethylenediamine dihydrochloride
• 别名: 2-(1-萘氨基)乙胺 二盐酸盐; N-(1-萘基)乙二胺 二盐酸盐; N-(1-萘)乙二胺二盐酸盐; N-(1-Naphthyl)ethylenediamine dihydrochloride; BRATTON'S REAGENT; N1-(Naphthalen-1-yl)ethane-1,2-diamine dihydrochloride; N-1-Naphthalenyl-1,2-ethanediamine hydrochloride; 2-(1-Naphthylamino)ethylamine dihydrochloride; N-(1-NAPHTHYL)ETHYLENEDIAMINE DIHYDROCHLORIDE; N-1-NaphthylethylenediaMine dihydrochloride; N-1-Naphthalenyl-1,2-ethanediamine dihydrochloride; NCI-C03281; N-(1-NAPHTHYL)ETHYLENEDIAMINE, ACS

登记号

• CAS号: 1465-25-4
• EC号: 215-981-2
• MDL号: MFCD00012556
• Beilstein号: 3707471
• 默克索引号: 146409
• PubChem SID: 24897888; 24860243; 162036156; 24853334
• PubChem CID: 15106

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.360457
• LogD (pH = 7.4): -0.5188825
• Log P: 1.6385169
• 摩尔折射率: 60.6518 cm^3
• 极化性: 24.321346 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: passes test
• 熔点: 188°C; 188°C (dec.); 194-198 °C (dec.)(lit.); ca 195°C

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate, Protect from light
• 保存注意事项: IRRITANT; Light Sensitive & Hygroscopic
• RTECS编号: KV5330000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37-60; S:20-25-26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0%; >98%; ≥97.0%; ≥97.0% (calc. based on dry substance, AT); ≥98%; ≥98% (calc with ref. to anhyd. subst.); 95+%; 96%; 98%
• 级别: ACS; ACS reagent; for determination of sulfonamide and nitrite; purum; REAGENT; SAJ special grade
• 成盐信息: 2 HCl
• 适用性: complies for identity; passes test for detection of sulfonamide; passes test for sensitivity to sulfanilamide; suitable for determination of nitroxide
• 燃烧残渣: ≤0.1%
• 杂质: ≤0.01% 2-naphthylamine; ≤0.1% 1-naphthylamine; ≤5% water; ≤5% water (Karl Fischer)
• 线性分子式: C10H7NHCH2CH2NH2 · 2HCl

详细说明

MP Biomedicals - 02102397

Dihydrochloride
Used for colorimetric determination of sulfonamide in blood. Also used for simultaneous spectrophotometric determination of nitrite and nitrate.

MP Biomedicals - 05212328

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152549

ACS Reagent Grade
Dihydrochloride
Purity: ≥98.0% (Anhydrous basis)

Sigma Aldrich - N9125

包装
10, 25, 100 g in glass bottle

Sigma Aldrich - 222488

包装
5, 10, 25, 100, 500 g in glass bottle
Application
分光光度法检测氨基苯酚、苯二胺、二硝基苯胺、氯苯胺、硫醇和磺胺的偶联剂。1,2,3

参考文献

• Anderson, L., Anal. Chim. Acta , 110 : 123 (1979).