ethyl(methyl)amine

• ChemBase编号: 2135
• 分子式: C3H9N
• 平均质量: 59.11026
• 单一同位素质量: 59.07349929
• SMILES: CCNC
• Canonical SMILES: CNCC
• InChI: InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
• InChIKey: LIWAQLJGPBVORC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl(methyl)amine
• IUPAC传统名: N-methylethanamine; methylethylamine
• 别名: N-甲基乙胺; N-乙基甲基胺; (Methylamino)ethane; N-Ethylmethylamine; N-Methylethylamine 97%; Ethylmethylamine; Methylaminoethane; Methylethylamine; N-Methyl-N-ethylamine; N-Methylethanamine; N-Ethylmethylamine; Methylethylamine; NMEA; N-Methylethylamine; N-Ethylmethylamine; ethyl(methyl)amine

登记号

• CAS号: 624-78-2
• EC号: 210-862-1
• MDL号: MFCD00009030
• Beilstein号: 1730786
• PubChem SID: 24845722; 46507472; 160965589; 24857515
• PubChem CID: 12219

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -3.0711794
• LogD (pH = 7.4): -2.7213953
• Log P: 0.16392948
• 摩尔折射率: 19.442 cm^3
• 极化性: 7.800994 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.13
• LOG S: 0.85
• 溶解度: 4.18e+02 g/l

分子性质

理化性质

• 沸点: 33-34°C; 36-37 °C(lit.); 36-37°C
• 闪点: <-29.2 °F; <-34 °C; <-34°C(-29°F); -34°C
• 密度: 0.688; 0.688 g/mL at 25 °C(lit.)
• 折射率: 1.3740; n20/D 1.374; n20/D 1.374(lit.)
• 蒸汽压: 8.53 psi ( 20 °C)
• 疏水性(logP): 0.011; 0.15 [HANSCH,C ET AL. (1995)]

安全信息

• 保存注意事项: Air Sensitive & Hygroscopic; Highly Flammable/Corrosive/Harmful/Air Sensitive/Hygroscopic/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 高度易燃性(Highly flammable) (F+)
• 联合国危险货物编号: 2733; UN2733
• 德国WGK号: 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; I
• 危险公开号: 11-20/21/22-35; 12-34
• 安全公开号: 26-36/37/39-45; 3/7-9-26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H224-H314-H318; H225-H302-H312-H314-H332
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2733 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); 95%; 97%; 98+%
• 级别: purum
• 线性分子式: C2H5NHCH3

详细说明

DrugBank - DB02396

Drug information: experimental

Apollo Scientific Ltd - OR30626

Cylinder - 1/4" NPTM connection

Sigma Aldrich - 291145

包装
5, 25 g in glass bottle