dimethyl[3-(piperazin-1-yl)propyl]amine

• ChemBase编号: 91289
• 分子式: C9H21N3
• 平均质量: 171.28314
• 单一同位素质量: 171.17354769
• SMILES: N1(CCCN(C)C)CCNCC1
• Canonical SMILES: CN(CCCN1CCNCC1)C
• InChI: InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
• InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl[3-(piperazin-1-yl)propyl]amine
• IUPAC传统名: dimethyl[3-(piperazin-1-yl)propyl]amine
• 别名: 1-(3-二甲胺基丙基)哌嗪; N,N-二甲基-1-哌丙胺; N,N-二甲基-3-哌嗪基丙胺; 1-[3-(二甲氨基)丙基]哌嗪; 1-(3-Dimethylaminopropyl)piperazine 97%; N,N-Dimethyl-3-(1-piperazinyl)propylamine; N,N-Dimethyl-1-piperazinepropylamine; 1-(3-Dimethylaminopropyl)piperazine; N,N-Dimethyl-1-piperazinepropanamine; N,N-Dimethyl-3-piperazinopropylamine; 1-[3-(Dimethylamino)propyl]piperazine; N,N-dimethyl-3-(piperazin-1-yl)propan-1-amine

登记号

• CAS号: 877-96-3
• MDL号: MFCD00082601
• Beilstein号: 506940
• PubChem SID: 24890039; 162077993
• PubChem CID: 2736234

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.7951684
• LogD (pH = 7.4): -4.3452244
• Log P: -0.26715463
• 摩尔折射率: 53.628 cm^3
• 极化性: 21.17821 Å^3
• 极化表面积: 18.51 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

• 沸点: 88-90°C
• 折射率: n20/D 1.478

安全信息

• 保存注意事项: Air Sensitive; Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN2735
• 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): III
• 危险公开号: 34; 36/37/38
• 安全公开号: 26; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); 99%
• Empirical Formula (Hill Notation): C9H21N3
• 分类: Derivatives & analogs of Natural Compounds

详细说明

Sigma Aldrich - 94663

包装
1, 5 g in glass bottle