[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 64794
• 分子式: C7H14ClF6N2P
• 平均质量: 306.6166402
• 单一同位素质量: 306.04873209
• SMILES: C(=C(\C=[N+](C)C)/Cl)/N(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(/C=C(/C=[N+](C)C)\Cl)C
• InChI: InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
• InChIKey: PIUHAULDXSPPQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• IUPAC传统名: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• 别名: 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

登记号

• CAS号: 291756-76-8
• MDL号: MFCD08458255
• PubChem SID: 162030533
• PubChem CID: 10590807

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.9836764
• LogD (pH = 7.4): -2.929546
• Log P: -2.9288104
• 摩尔折射率: 57.9272 cm^3
• 极化性: 17.370338 Å^3
• 极化表面积: 6.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%