bis(prop-2-en-1-yl)amine

• ChemBase编号: 109123
• 分子式: C6H11N
• 平均质量: 97.15824
• 单一同位素质量: 97.08914936
• SMILES: C=CCNCC=C
• Canonical SMILES: C=CCNCC=C
• InChI: InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
• InChIKey: DYUWTXWIYMHBQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(prop-2-en-1-yl)amine
• IUPAC传统名: diallylamine
• 别名: 二烯丙基胺; DIALLYLAMINE; Diallylamine

登记号

• CAS号: 124-02-7
• EC号: 204-671-2
• MDL号: MFCD00008642
• Beilstein号: 773718
• 默克索引号: 142971
• PubChem SID: 24894312; 162094510
• PubChem CID: 31279

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8309826
• LogD (pH = 7.4): -0.4802886
• Log P: 1.2696211
• 摩尔折射率: 33.0188 cm^3
• 极化性: 12.885164 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -100°C; -88 °C(lit.); -88°C
• 沸点: 111-112 °C(lit.); 111-112°C; 111-112°C
• 闪点: 44.6 °F; 7 °C; 7°C(44°F)
• 密度: 0.787 g/ml; 0.787 g/mL at 25 °C(lit.); 0.789
• 折射率: 1.4405; n20/D 1.440(lit.)
• 蒸汽压: 18 mmHg ( 20 °C)
• 蒸汽密度: 3.35 (vs air)

安全信息

• 保存注意事项: Air Sensitive
• RTECS编号: UC6650000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2359; UN2359
• 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): 2; II
• 危险公开号: 11-20/22-24-34; R:11-22-27-34
• 安全公开号: 16-23-26-33-36/37/39-45; 16-26-36/37/39-45; S:16-27/28-29-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H225-H302-H311 + H331-H314; H225-H311-H330-H302-H314-H318
• GHS警示性声明: P210-P261-P280-P305 + P351 + P338-P310; P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• 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 2359 3/PG 2

产品相关信息

• 纯度: 98%; 99%
• 线性分子式: (CH2=CHCH2)2NH

详细说明

MP Biomedicals - 05209929

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D9603

包装
1 L in glass bottle
100, 500 mL in glass bottle

参考文献

• Pd catalyzed coupling with aryl or heteroaryl halides followed by cleavage with methanesulfonic acid or BF₃ etherate in the presence of Pd on carbon, provides a mild route to aryl or heteroaryl amines in which the diallylamine behaves as an ammonia equivalent: Tetrahedron Lett., 39, 1313 (1998).