3-(piperidin-1-yl)propan-1-amine

• ChemBase编号: 17462
• 分子式: C8H18N2
• 平均质量: 142.24192
• 单一同位素质量: 142.14699859
• SMILES: N1(CCCN)CCCCC1
• Canonical SMILES: NCCCN1CCCCC1
• InChI: InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2
• InChIKey: JMUCXULQKPWSTJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(piperidin-1-yl)propan-1-amine
• IUPAC传统名: 3-(piperidin-1-yl)propan-1-amine
• 别名: 3-哌啶丙胺; 1-(3-氨丙基)哌啶; 3-Piperidin-1-yl-propylamine; 3-(Piperidin-1-yl)propylamine 97%; 3-Piperidinopropylamine; N-(3-Aminopropyl)piperidine; 3-piperidin-1-ylpropan-1-amine; 3-(N-PIPERADINO)PROPYLAMINE

登记号

• CAS号: 3529-08-6
• EC号: 222-557-0
• MDL号: MFCD00023784
• PubChem SID: 160980769
• PubChem CID: 19049

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.3878226
• LogD (pH = 7.4): -3.2768192
• Log P: 0.30351153
• 摩尔折射率: 44.9453 cm^3
• 极化性: 17.811394 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 227 - 229°C
• 沸点: 84-86°C
• 闪点: 179.6 °F; 82 °C
• 密度: 0.895 g/mL at 25 °C
• 折射率: n20/D 1.476
• 疏水性(logP): 1.113

安全信息

• 保存注意事项: Corrosive; IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H314
• GHS警示性声明: 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 2735 8/PG 3

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C8H18N2

详细说明

MP Biomedicals - 05217599

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 694134

包装
5 g in glass bottle
Application
Reactant for synthesis of:
• A chemotype that inhibits Botulinum neurotoxin serotype A light chain, P. falciparum Malaria, and Ebola filovirus1
• Membrane targeting antibiotics2
• 5-HT3A receptor antagonists3
• Histamine H3 antagonists4
• Berberine derivatives for stabilization of G-quadruplex DNA and down regulation of oncogene c-myc5Reactant for incorporation of basic side chains into cryptolepine scaffold for antimalarial activity6