2-(tert-butylamino)-1-methyl-2-{[tris(dimethylamino)-λ5-phosphanylidene]amino}-1,3,2-diazaphosphinan-2-ium iodide

• ChemBase编号: 157327
• 分子式: C14H38IN7P2
• 平均质量: 493.350412
• 单一同位素质量: 493.17086551
• SMILES: CC(C)(C)N[P+]1(NCCCN1C)N=P(N(C)C)(N(C)C)N(C)C.[I-]
• Canonical SMILES: CN(P(=N[P+]1(NCCCN1C)NC(C)(C)C)(N(C)C)N(C)C)C.[I-]
• InChI: InChI=1S/C14H38N7P2.HI/c1-14(2,3)16-22(15-12-11-13-21(22)10)17-23(18(4)5,19(6)7)20(8)9;/h15-16H,11-13H2,1-10H3;1H/q+1;/p-1
• InChIKey: VSDBBQAGZFSIEO-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 2-(tert-butylamino)-1-methyl-2-{[tris(dimethylamino)-λ^5-phosphanylidene]amino}-1,3,2-diazaphosphinan-2-ium iodide
• IUPAC传统名: 2-(tert-butylamino)-1-methyl-2-{[tris(dimethylamino)-λ^5-phosphanylidene]amino}-1,3,2-diazaphosphinan-2-ium iodide
• 别名: 2-叔丁基氨基-1-甲基-2-[三(二甲基氨基)正膦亚基氨基]-全氢化-1,3,2-二氮杂碘化磷; 2-tert-Butylamino-1-methyl-2-[tris(dimethylamino)phosphoranylidenamino]-perhydro-1,3,2-diazaphosphorinium iodide

登记号

• MDL号: MFCD16652532
• PubChem SID: 162251464
• PubChem CID: 71312449

理论计算性质

• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -4.1900153
• LogD (pH = 7.4): -2.3752015
• Log P: -1.2872735
• 摩尔折射率: 127.2434 cm^3
• 极化性: 41.96311 Å^3
• 极化表面积: 49.38 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3259
• 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): 2
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

产品相关信息

• 纯度: ≥97.0% (CHN)
• 级别: purum
• Empirical Formula (Hill Notation): C14H38IN7P2

详细说明

Sigma Aldrich - 06113

Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases