bis(3-aminopropyl)amine

• ChemBase编号: 108691
• 分子式: C6H17N3
• 平均质量: 131.21928
• 单一同位素质量: 131.14224756
• SMILES: NCCCNCCCN
• Canonical SMILES: NCCCNCCCN
• InChI: InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
• InChIKey: OTBHHUPVCYLGQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(3-aminopropyl)amine
• IUPAC传统名: norspermidine
• 别名: 二丙烯基三胺; 3,3′-二氨基二丙胺; 3,3′-亚氨基二丙胺; N-(3-氨丙基)-1,3-丙二胺; 二亚丙基三胺; 去甲精眯; 双(3-氨基丙基)胺; bis(3-AMINOPROPYL)AMINE; Dipropylenetriamine; Bis(3-aminopropyl)amine; Norspermidine; 3,3′-Diaminodipropylamine; 3,3′-Iminodipropylamine; N-(3-Aminopropyl)-1,3-propanediamine; Dipropylenetriamine; Norspermidine; 1,5,9-Triazanonane; NSC 7773; 1,7-Diamino-4-azaheptane; 3,3'-Iminobis-1-propanamine; 3,3'-Iminobis(propylamine); 3,3'-Iminodi(propylamine); 4-Aza-1,7-diaminoheptane; 4-Azaheptamethylenediamine; 4-Azaheptane-1,7-diamine; Bis(3-aminopropyl)amine; Caldine; Di(3-aminopropyl)amine; P 2 (hardener); N-3-Aminopropyl-1,3-diaminopropane; sym-Norspermidine; 3,3'-Diaminodipropylamine

登记号

• CAS号: 56-18-8
• EC号: 200-261-2
• MDL号: MFCD00008214
• Beilstein号: 1071254
• PubChem SID: 24848705; 24896102; 24895916; 162095643
• PubChem CID: 5942
• CHEBI ID: 16841
• CHEMBL: 28743
• Chemspider ID: 5729
• Gmelin ID: 26839
• KEGG ID: C03375
• 医学主题词(MeSH): norspermidine
• 维基百科标题: Norspermidine

理论计算性质

• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -9.580444
• LogD (pH = 7.4): -7.022721
• Log P: -1.6669266
• 摩尔折射率: 40.3238 cm^3
• 极化性: 16.378576 Å^3
• 极化表面积: 64.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Clear Colourless Oil; Colorless liquid
• 熔点: -14 - -12°C; -14 °C(lit.); -16.15 - -0.149999999999977°C (257 - 273 K); -16°C
• 沸点: 151 °C/50 mmHg(lit.); 235°C; 240.60°C (513.75K)
• 闪点: 117 °C; 117°C(242°F); 242.6 °F
• 自燃点: 280 °C
• 密度: 0.938; 0.938 g/mL at 25 °C(lit.); 938 mg mL^-1
• 折射率: 1.481–1.482; 1.4820; n20/D 1.481(lit.); n20/D 1.482
• 分配系数: -0.826
• 疏水性(logP): -1.438
• 气味: Ichtyal, ammoniacal

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Air Sensitive
• RTECS编号: JL9450000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2269; UN2269
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-24-26-35-43; R:22-24-26-35-43; r22, r24, r26, r35, r43
• 安全公开号: 26-28-36/37/39-45; S:26-28-45-36/37/39; s1/2, s26, s36/37/39
• TSCA收录: 是
• 欧盟危险品索引: 612-063-00-7
• GHS危险品标识: GHS corrosion; GHS skull and crossbones; GHS05; GHS06
• GHS警示词: DANGER; Danger
• 半数致死量: 738 mg kg^-1 (oral, rat)
• GHS危险声明: 302, 311, 314, 317, 330; H302-H311-H314-H317-H330; H311-H330-H302-H317-H314-H318
• GHS警示性声明: 260, 280, 284, 305+351+338, 310; P260-P280-P284-P305 + P351 + P338-P310; P280-P305+P351+P338-P302+P352-P309-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 2269 8/PG 3
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: mouse ... Odc1(18263)

产品相关信息

• 纯度: ≥97.0% (GC); 95%; 98%; 99%
• 级别: purum
• 线性分子式: (NH2CH2CH2CH2)2NH

详细说明

Sigma Aldrich - I1006

包装
100, 500 g in glass bottle

Toronto Research Chemicals - D416680

A structural homologue of the natural polyamine spermidine with antitumor activity that may make it useful as a antineoplastic agent.

参考文献

• Prakash, N. et al.: Anticancer Res., 8, 563 (1988)
• Sunkara, P.S. et al.: Adv. Exp. Med. Biol., 250, 707 (1988)
• Porter, C.W. et al.: Cancer. Res., 42, 4072 (1988)