1-methylpiperidine

• ChemBase编号: 76875
• 分子式: C6H13N
• 平均质量: 99.17412
• 单一同位素质量: 99.10479942
• SMILES: N1(CCCCC1)C
• Canonical SMILES: CN1CCCCC1
• InChI: InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
• InChIKey: PAMIQIKDUOTOBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylpiperidine
• IUPAC传统名: N-methylpiperidine
• 别名: N-甲基哌啶; 1-甲基哌啶; N-甲基哌啶; 1-甲基哌啶 溶液; N-Methylpiperidine; 1-Methylpiperidine; 1-Methylpiperidine; N-Methylpiperidine; 1-Methylpiperidine solution; N-METHYLPIPERIDINE

登记号

• CAS号: 626-67-5
• EC号: 210-959-9
• MDL号: MFCD00006491
• Beilstein号: 1560282; 1073
• PubChem SID: 24897150; 162041777; 24885853
• PubChem CID: 12291

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.397927
• LogD (pH = 7.4): -1.3357606
• Log P: 1.0405356
• 摩尔折射率: 32.1301 cm^3
• 极化性: 12.598926 Å^3
• 极化表面积: 3.24 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

• 熔点: -50°C
• 沸点: 105-107 °C(lit.); 105-107°C; 106-107 °C(lit.)
• 闪点: 21.6°C; 28 °C; 3 °C; 3°C(37°F); 37.4 °F; 41 °F; 5 °C; 82.4 °F
• 密度: 0.816; 0.816 g/mL at 25 °C(lit.); 0.817 g/mL at 20 °C(lit.); 0.82 g/ml
• 折射率: 1.4378; n20/D 1.406; n20/D 1.4378(lit.); n20/D 1.438

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Highly Flammable/Corrosive
• RTECS编号: TN1225000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有毒(Toxic) (T); X
• 联合国危险货物编号: 2399; 2920; 3286; UN2399
• 德国WGK号: 3
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2WE
• 危险公开号: 10-22-34-37-67; 11-20/22-34; 11-23/24/25-34-39/23/24/25; 11-34; R:10-34
• 安全公开号: 16-26-36/37/39-45; 26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• 欧盟危险货物分类: FC
• 欧盟危险识别号(EUHIN): 8A
• 美国ERG指导号: 132
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H314-H331-H370; H225-H314; H225-H331-H302-H314-H318; H226-H302-H314-H335-H336
• GHS警示性声明: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310; P210-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-P310; P261-P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2399 3/PG 2; UN 2920 8/PG 2; UN 3286 3/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: ~97%; ≥98.0% (GC); 99%
• 浓度: ~40% in 1-butanol
• 级别: purum
• 适用性: suitable for protein sequencing
• 杂质: ≥20% methanol
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C6H13N

详细说明

MP Biomedicals - 02151669

Purity: ~97%
1 ml = approx. 0.82 g

MP Biomedicals - 05209405

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 68835

包装
Special packaging for direct use in common sequencers.

Sigma Aldrich - M72609

包装
100, 500 mL in glass bottle
Application
Reactant for:
• sp3 C-H Bond activation with ruthenium(II) catalysts and C(3)-alkylation of cyclic amines1
• One-pot synthesis of Z-cinnamic acids2Reactant for synthesis of:
• Unsymmetrical ureas3
• Antibacterial imidazolium, pyrrolidinium, and piperidinium salts4
• C1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester coupling5
• Multi-targeted inhibitors of insulin-like growth factor-1 receptor and members of ErbB-family receptor kinases6

Sigma Aldrich - 53490

包装
Special packaging for direct use in common sequencers.

参考文献

• Use of this base in the mixed anhydride method of peptide coupling reduces cleavage of the mixed anhydride at the "wrong" site: J. Org. Chem., 48, 2939 (1983). See Appendix 6.