1-benzylpiperidin-4-amine

• ChemBase编号: 24588
• 分子式: C12H18N2
• 平均质量: 190.28472
• 单一同位素质量: 190.14699859
• SMILES: N1(Cc2ccccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
• InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-benzylpiperidin-4-amine
• IUPAC传统名: 1-benzylpiperidin-4-amine
• 别名: 4-氨基-1-苄基哌啶; 4-Amino-1-benzylpiperidine 98%; 1-Benzyl-4-pyridinamine; 4-Amino-1-benzylpiperidine; 1-Benzylpiperidin-4-amine; 1-(Phenylmethyl)-4-piperidinamine; 4-Amino-1-benzylpiperidine

登记号

• CAS号: 1155-56-2; 50541-93-0
• EC号: 256-620-9
• MDL号: MFCD00006504
• Beilstein号: 146038
• PubChem SID: 24851715; 24846012; 160987895
• PubChem CID: 415852

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.46667
• LogD (pH = 7.4): -2.3850498
• Log P: 1.1258204
• 摩尔折射率: 59.9825 cm^3
• 极化性: 23.75333 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 279-281°C; 279-281°C
• 闪点: >110°C(230°F); 110 °C; 230 °F
• 密度: 0.930; 0.933; 0.933 g/mL at 25 °C(lit.)
• 折射率: 1.543; 1.5430; n20/D 1.543; n20/D 1.543(lit.)

安全信息

• 保存注意事项: Air Sensitive; IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: rat ... Grin2a(24409)

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 98%
• 级别: purum
• Empirical Formula (Hill Notation): C12H18N2

详细说明

Sigma Aldrich - 195812

包装
5, 25, 100 g in glass bottle
Application
Reactant for synthesis of: Highly selective inhibitors of p38a mitogen-activated protein kinase1 Antiplasmodial compounds2 Dual activity cholinesterase and Aβ-aggregation inhibitors3 Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonists4 Photostable near-infrared cyanine dyes5 99mTc-labeled piperidine analogues for targeting sigma receptors6

Sigma Aldrich - 07100

Application
Reactant for synthesis of: Highly selective inhibitors of p38a mitogen-activated protein kinase1 Antiplasmodial compounds2 Dual activity cholinesterase and Aβ-aggregation inhibitors3 Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonists4 Photostable near-infrared cyanine dyes5 99mTc-labeled piperidine analogues for targeting sigma receptors6