3,5-dimethylpiperidine

• ChemBase编号: 76858
• 分子式: C7H15N
• 平均质量: 113.2007
• 单一同位素质量: 113.12044949
• SMILES: N1CC(CC(C1)C)C
• Canonical SMILES: CC1CNCC(C1)C
• InChI: InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3
• InChIKey: IDWRJRPUIXRFRX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-dimethylpiperidine
• IUPAC传统名: piperidine, 3,5-dimethyl-
• 别名: 3,5-二甲基哌啶; 3,5-二甲基哌啶（顺反异构体混合物）; 3,5-二甲基哌啶,顺式+反式; 3,5-Dimethylpiperidine, mixture of cis and trans; 3,5-Dimethylpiperidine, cis + trans; 3,5-Dimethylpiperidine, cis + trans; 3,5-Lupetidine; 3,5-Dimethylpiperidine

登记号

• CAS号: 35794-11-7
• EC号: 252-730-6
• MDL号: MFCD00005996
• Beilstein号: 102638
• PubChem SID: 162041760; 24851202
• PubChem CID: 118259

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8490533
• LogD (pH = 7.4): -1.5496185
• Log P: 1.3874333
• 摩尔折射率: 35.7786 cm^3
• 极化性: 14.445701 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 142-146°C; 144 °C(lit.)
• 闪点: 32°C(89°F); 33 °C; 91.4 °F
• 密度: 0.830; 0.853 g/mL at 25 °C(lit.)
• 折射率: 1.4454; n20/D 1.4454(lit.)

安全信息

• 保存注意事项: Irritant/Flammable
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-36/37/38
• 安全公开号: 16-26-36/37/39; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

产品相关信息

• 纯度: ≥96%; 97%; 98%
• Empirical Formula (Hill Notation): C7H15N

详细说明

Sigma Aldrich - 186104

包装
25 g in glass bottle
Application
Reactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5