1-methylpiperazine

• ChemBase编号: 78382
• 分子式: C5H12N2
• 平均质量: 100.16218
• 单一同位素质量: 100.10004839
• SMILES: N1CCN(CC1)C
• Canonical SMILES: CN1CCNCC1
• InChI: InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
• InChIKey: PVOAHINGSUIXLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylpiperazine
• IUPAC传统名: piperazine, 1-methyl-
• 别名: 1-甲基哌嗪; N-甲基哌嗪; 1-Methylpiperazine; 1-Methyl-piperazine; 1-Methylpiperazine; 1-Methylpiperazine; N-METHYLPIPERAZINE

登记号

• CAS号: 109-01-3
• EC号: 203-639-5
• MDL号: MFCD00005966
• Beilstein号: 102724
• PubChem SID: 24847936; 162043151; 24885849; 24848728
• PubChem CID: 53167

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.7431488
• LogD (pH = 7.4): -2.3915062
• Log P: -0.3457589
• 摩尔折射率: 30.7435 cm^3
• 极化性: 12.272833 Å^3
• 极化表面积: 15.27 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: -5°C; -6°C
• 沸点: 137-139°C; 137-139°C; 138 °C(lit.); 138°C
• 闪点: 102.2 °F; 34°C(93°F); 39 °C; 39°C; 42.2°C
• 密度: 0.903; 0.903 g/ml; 0.903 g/mL at 25 °C(lit.)
• 折射率: 1.4655; n20/D 1.466; n20/D 1.466(lit.)
• 蒸汽密度: 3.5 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Air Sensitive; Corrosive/Flammable/Toxic/Moisture Sensitive/Hygroscopic/Air Sensitive/Store under Argon
• RTECS编号: TM1225000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2733; 2734; 2920; UN2734
• 德国WGK号: 2
• 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: 2W
• 危险公开号: 10-20/21-34; R:10-27-34
• 安全公开号: 26-36/37/39-45; 9-26-36/37/39-45-60; S:16-27/28-29-36/37/39-45
• 欧盟危险货物分类: CF1
• 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
• GHS警示词: Danger
• GHS危险声明: H226-H312-H314-H331; H311-H332-H314-H318-H226
• GHS警示性声明: P261-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-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 2734 8/PG 2

产品相关信息

• 纯度: ≥99.0% (GC); ≥99.5% (GC); 98%; 98+%; 99%
• 级别: analytical standard; purum
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C5H12N2

详细说明

MP Biomedicals - 02190518

Purity: 98%

MP Biomedicals - 05216141

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 130001

包装
5, 100, 500 g in glass bottle

参考文献

• For preparation of a reagent for the high-yield reduction of esters to aldehydes, see Sodium bis(2-methoxyethoxy)aluminum hydride, A13292. Similarly, addition of the hydrochloride to Lithium aluminum hydride, A18116, gives a complex which can reduce carboxylic acids to aldehydes: J. Org. Chem., 49, 2279 (1984).
• The N-lithio-derivative effects the O-alkyl cleavage of aromatic ortho-alkoxyaldehydes or ketones, without the need for carbonyl protection: Synth. Commun., 18, 191 (1988).