N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride

• ChemBase编号: 104760
• 分子式: C16H22ClN3
• 平均质量: 291.81898
• 单一同位素质量: 291.1502254
• SMILES: Cl.CN(C)CCN(Cc1ccccc1)c1ncccc1
• Canonical SMILES: CN(CCN(c1ccccn1)Cc1ccccc1)C.Cl
• InChI: InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
• InChIKey: FSSICIQKZGUEAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride
• IUPAC传统名: tripelennamine hydrochloride
• 别名: 2-(苄基[2-二甲基氨乙基]氨基)吡啶; N-苄基-N′,N′-二甲基-N-(2-吡啶基)乙二胺 盐酸盐; 苄吡二胺 盐酸盐; N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride; 2-(Benzyl[2-dimethylaminoethyl]amino)pyridine; N-Benzyl-N′,N′-dimethyl-N-(2-pyridyl)ethylenediamine hydrochloride; Tripelennamine hydrochloride; 2-[Benzyl(2-dimethylamino-ethyl)amino]pyridine; TRIPELENNAMINE HYDROCHLORIDE; Tripelennamine HCl; N1,N1-Dimethyl-N2-(phenylmethyl)-N2-2-pyridinyl-1,2-ethanediamine Hydrochloride; 2-[Benzyl[2-(dimethylamino)ethyl]amino]pyridine Monohydrochloride; Azaron; Dehistin Monohydrochloride; N-Benzyl-N',N'-dimethyl-N-2-pyridylethylenediamine Hydrochloride; NIH 10186; PBZ; Piristin; Pyribenzamine Hydrochloride; Pyribenzamine Monohydrochloride; Pyrinamine; ReCovr; Stanzamine; Tripelennamine Monohydrochloride; Vetibenzamine; Vetobenzamina

登记号

• CAS号: 154-69-8
• EC号: 205-833-5
• MDL号: MFCD00012815
• PubChem SID: 162091937; 24900456
• PubChem CID: 9066

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.067917235
• LogD (pH = 7.4): 1.8188069
• Log P: 3.2011924
• 摩尔折射率: 81.2749 cm^3
• 极化性: 30.94271 Å^3
• 极化表面积: 19.37 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

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 188-192°C; 190-192°C
• 疏水性(logP): 3.306

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C), Protect from light
• RTECS编号: US3150000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; R:22
• 安全公开号: 26-36; S:36/37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 作用靶点: Histamine Receptor

产品相关信息

• 纯度: 95%; 99%
• 级别: analytical standard, for drug analysis
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C16H21N3 · HCl

详细说明

MP Biomedicals - 02157112

Hydrochloride
Crystalline
An H₁ histamine receptor antagonist.

Toronto Research Chemicals - T808325

Tripelennamine is a first-generation antihistamine, used in the treatment of asthma, hay fever, and urticaria.

参考文献

• He, N., et al.: Eur. J. Clin. Pharmacol., 57, 847 (2002)
• Serafimova, R., et al.: Chemi. Res. Toxicol., 20, 1225 (2002)
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2002)