(2-chloroethyl)(ethyl)[(2-methylphenyl)methyl]amine hydrochloride

• ChemBase编号: 103922
• 分子式: C12H19Cl2N
• 平均质量: 248.19196
• 单一同位素质量: 247.08945497
• SMILES: Cl.CCN(CCCl)Cc1ccccc1C
• Canonical SMILES: ClCCN(Cc1ccccc1C)CC.Cl
• InChI: InChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
• InChIKey: GAAOKTBHSXYRNH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chloroethyl)(ethyl)[(2-methylphenyl)methyl]amine hydrochloride
• IUPAC传统名: (2-chloroethyl)(ethyl)[(2-methylphenyl)methyl]amine hydrochloride
• 别名: N-乙基-N-(2-氯乙基)-2-甲基苄胺 盐酸盐; Xylamine 盐酸盐; N-(2-氯乙基-N-乙基-2-甲基苄胺 盐酸盐; 2-CEA; N-Ethyl-N-(2-chloroethyl)-2-methylbenzylamine hydrochloride; Xylamine hydrochloride; N-(2-Chloroethyl)-N-ethyl-2-methylbenzylamine hydrochloride; N-(2-Chloroethyl)-N-ethyl-2-methylbenzylamine; XYLAMINE

登记号

• CAS号: 57913-68-5
• MDL号: MFCD00043240
• PubChem SID: 162091383
• PubChem CID: 16757788

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.84800535
• LogD (pH = 7.4): 2.6216693
• Log P: 3.4493618
• 摩尔折射率: 63.7338 cm^3
• 极化性: 24.649 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ethanol: soluble; H2O: soluble; methanol: soluble
• 外观: white solid

安全信息

• 保存条件: Room Temperature (15-30°C)
• 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
• 安全公开号: 26-36
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• Empirical Formula (Hill Notation): C12H18ClN · HCl

详细说明

MP Biomedicals - 02153581

Xylamine is a selectively irreversible inhibitor of norepinephrine uptake into central and peripheral noradrenergic neurons.
Hydrochloride

Sigma Aldrich - B013

Biochem/physiol Actions
去甲肾上腺素向中枢和外周神经元转运的选择性、不可逆阻断剂。