(2-chloropropyl)dimethylamine hydrochloride

• ChemBase编号: 74394
• 分子式: C5H13Cl2N
• 平均质量: 158.06942
• 单一同位素质量: 157.04250478
• SMILES: N(CC(C)Cl)(C)C.Cl
• Canonical SMILES: CN(CC(Cl)C)C.Cl
• InChI: InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
• InChIKey: OCWGRWAYARCRTQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chloropropyl)dimethylamine hydrochloride
• IUPAC传统名: (2-chloropropyl)dimethylamine hydrochloride
• 别名: β-(二甲基氨基)异丙基氯 盐酸盐; 2-(二甲基氨基)异丙基氯 盐酸盐; 2-氯-1-(二甲基氨基)丙烷 盐酸盐; N-(2-氯丙基)二甲胺 盐酸盐; 2-氯-N,N-二甲基丙胺 盐酸盐; 2-二甲基氨异丙基氯 盐酸盐; β-(Dimethylamino)isopropyl chloride hydrochloride; 2-(Dimethylamino)isopropyl chloride hydrochloride; 2-Chloro-1-(dimethylamino)propane hydrochloride; N-(2-Chloropropyl)dimethylamine hydrochloride; 2-Chloro-N,N-dimethylpropylamine hydrochloride; 2-Chloro-N,N-dimethylpropylamine; β-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE; 2-Chloro-N,N-dimethylpropylamine hydrochloride 98%; 2-Chloro-1-dimethylaminopropane hydrochloride; 2-Chloro-N,N-dimethylpropylamine hydrochloride; 2-Dimethylaminoisopropyl chloride hydrochloride

登记号

• CAS号: 4584-49-0
• EC号: 224-971-7
• MDL号: MFCD00012534
• Beilstein号: 3670215
• PubChem SID: 162039313; 24854630; 24893435
• PubChem CID: 94294

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.3413653
• LogD (pH = 7.4): 0.43254375
• Log P: 1.2712344
• 摩尔折射率: 33.7502 cm^3
• 极化性: 13.282926 Å^3
• 极化表面积: 3.24 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: 187-190 °C; 187-190 °C(lit.); 190-193°C; 191-195°C

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: TY1225000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; R:36/37/38
• 安全公开号: 26; 26-36/37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319-H335; H302-H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥97.0% (AT); 98%
• 级别: purum
• 线性分子式: CH3CHClCH2N(CH3)2 · HCl

详细说明

MP Biomedicals - 05202643

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D142409

包装
100 g in poly bottle