2-methylprop-2-en-1-amine hydrochloride

• ChemBase编号: 90357
• 分子式: C4H10ClN
• 平均质量: 107.5819
• 单一同位素质量: 107.05017701
• SMILES: NCC(=C)C.Cl
• Canonical SMILES: CC(=C)CN.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-4(2)3-5;/h1,3,5H2,2H3;1H
• InChIKey: IOXCSDPJYGPYFW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-en-1-amine hydrochloride
• IUPAC传统名: 2-methylprop-2-en-1-amine hydrochloride
• 别名: 2-甲基烯丙基胺 盐酸盐; 2-Methylprop-2-en-1-amine hydrochloride; 2-Methylallylamine hydrochloride 98%; 2-Methyl-2-propen-1-amine hydrochloride; 2-Methylallylamine hydrochloride

登记号

• CAS号: 28148-54-1
• MDL号: MFCD00012876
• PubChem SID: 24883003; 162077172
• PubChem CID: 11953772

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.6532416
• LogD (pH = 7.4): -1.8519697
• Log P: 0.34915224
• 摩尔折射率: 23.3635 cm^3
• 极化性: 9.418702 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 179-184 °C(lit.)

安全信息

• 保存注意事项: Irritant/Hygroscopic/Store under Argon
• 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: 26-37/39
• 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

• 线性分子式: H2C=C(CH3)CH2NH2 · HCl

详细说明

Sigma Aldrich - 639087

包装
5 g in glass bottle
Application
Reactant for:
• Preparation of platinum cyclometalated N-heterocyclic carbene complexes with chiral phosphines as catalysts1
• Preparation of oxoazetidinylbutenyl acetamides via rhodium-catalyzed hydroformylation2
• Preparation of highly monodisperse polymeric particles incorporating polymerizable perylene-bisimide fluorophore3
• Additive-free chemoselective acylation with anhydrides for preparation of amides4