2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid

• ChemBase编号: 104393
• 分子式: C14H15N3O3
• 平均质量: 273.2872
• 单一同位素质量: 273.11134136
• SMILES: O[N+](=O)[O-].C1CN=C(Cc2c3ccccc3ccc2)N1
• Canonical SMILES: C1CN=C(N1)Cc1cccc2c1cccc2.[O-][N+](=O)O
• InChI: InChI=1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
• InChIKey: ZAHXYMFVNNUHCP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid
• IUPAC传统名: acid, nitric; naphazoline; naphazoline; nitric acid
• 别名: 2-(1-萘基甲基)咪唑啉 硝酸酯; 萘甲唑啉 硝酸酯; 2-(1-萘基甲基)-2-咪唑啉 硝酸盐; 硝酸萘甲唑啉; 2-(1-Naphthylmethyl)imidazoline nitrate; Naphazoline nitrate; β-NAPHTHYLMETHYL-1'-IMIDAZOLINE NITRATE; Naphazoline nitrate; 2-(1-Naphthylmethyl)-2-imidazoline nitrate; 2-[1-Naphthylmethyl]imidazoline; NAPHAZOLINE; Naphazolini nitras

登记号

• CAS号: 5144-52-5
• EC号: 225-915-4
• MDL号: MFCD00014316
• Beilstein号: 3779329
• PubChem SID: 24886064; 162091070; 24886067
• PubChem CID: 82332

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.22005366
• LogD (pH = 7.4): -0.070375994
• Log P: 2.193117
• 摩尔折射率: 65.5195 cm^3
• 极化性: 26.432104 Å^3
• 极化表面积: 24.39 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 167-170 °C; 168-170°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: NJ4376000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22; R:22
• 安全公开号: 36-60; S:36/37/39
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• GHS警示性声明: P264-P270-P301+P312-P330-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (NT); 99%
• 级别: Ph Eur
• 燃烧残渣: ≤0.1%
• 干燥失重: ≤0.5% loss on drying
• 药典: testing & handling conforms to Pharmacopeia
• Empirical Formula (Hill Notation): C14H14N2 · HNO3

详细说明

MP Biomedicals - 05210546

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155770

(2-[1-Naphthylmethyl]imidazoline) Nitrate Salt Crystalline

Sigma Aldrich - 70170

包装
25 g in glass bottle
Application
Therapeutic use to:
• Combat ammonia poisoning1
• Treat seasonal allergy rhinitis2Involved in studies on the effects of imidazole drugs on chronotropic and inotropic effects3Pharmacological activity for topical mydriatics and vasoconstrictors4Radioprotector for mice treated with ionizing radiation5

Sigma Aldrich - 70199

Application
Therapeutic use to:
• Combat ammonia poisoning1
• Treat seasonal allergy rhinitis2Involved in studies on the effects of imidazole drugs on chronotropic and inotropic effects3Pharmacological activity for topical mydriatics and vasoconstrictors4Radioprotector for mice treated with ionizing radiation5