[(dimethylamino)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 100325
• 分子式: C10H15F6N6OP
• 平均质量: 380.2298802
• 单一同位素质量: 380.09491508
• SMILES: n1(c2c(cccn2)nn1)OC(=[N+](C)C)N(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)On1nnc2c1nccc2)C
• InChI: InChI=1S/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
• InChIKey: JNWBBCNCSMBKNE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(dimethylamino)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: [(dimethylamino)({[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)({[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide; [(dimethylamino)({[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})methylidene]dimethylazanium hexafluorophosphate
• 别名: N,N,N′,N′-四甲基-O-(7-氮杂苯并三唑-1-基)六氟磷酸脲; ChemDose™ O-(7-氮杂苯并三唑-1-基)-N,N,N′,N′-四甲基脲六氟磷酸酯片剂; HATU 浸渍片剂; O-(7-氮杂苯并三唑-1-基)-N,N,N′,N′-四甲基脲六氟磷酸酯，ChemDose™ 片剂; N,N,N′,N′-四甲基-O-(7-氮杂苯并三唑-1-基)六氟磷酸脲浸渍片剂; O-(7-氮杂苯并三唑-1-基)-N,N,N′,N′-四甲基脲六氟磷酸酯浸渍片剂; O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; HATU; N-[(Dimethylamino)(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methylidene]-N-methylmethylaminium hexafluorophosphate; N-[(Dimethylamino)-1H-1,2,3-triazolo-[4,5-b]pyridin-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide; 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate; HATU; 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate, ChemDose™ tablets; 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate impregnated tablets; N-[(Dimethylamino)-1H-1,2,3-triazolo-[4,5,b]pyridin-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide impregnated tablets; ChemDose™ 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate tablets; HATU impregnated tablets

登记号

• CAS号: 148893-10-1
• MDL号: MFCD00274639
• PubChem SID: 162086526; 24868183; 24847146
• PubChem CID: 9886157
• Chemspider ID: 8061830
• 维基百科标题: HATU

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -3.0952623
• LogD (pH = 7.4): -3.0952623
• Log P: -3.0952623
• 摩尔折射率: 85.0227 cm^3
• 极化性: 24.284819 Å^3
• 极化表面积: 59.08 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

• 熔点: 183-185 °C(lit.); 183-188 °C (dec.); 186(dec.)°C

安全信息

• 保存注意事项: Irritant/Moisture Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 爆炸性(Explosive) (E); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 2-36/37/38; 36/37/38
• 安全公开号: 26; 26-35
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H228-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (CHN); 97%
• 基质: magnesium aluminometasilicate base material
• Empirical Formula (Hill Notation): C10H15F6N6OP

详细说明

Sigma Aldrich - 685739

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
法律信息
ChemDose 商标 Reaxa Ltd.

Sigma Aldrich - 445460

Application
肽偶联剂。
通过固相合成制备 N-芳基磺酰胺键合肽。1
Reagent for: Synthesis of Aurora A kinase inhibitors1 HPLC assay to determine D- and L- acid enantiomers in human plasma2 Amide bond formation reactions3Catalyst for: Selective acylation4 Selecocyclization-oxidation deselenation sequence5
包装
1, 5 g in glass bottle
25 g in poly bottle

Sigma Aldrich - 11373

Other Notes
最近的研究表明，该偶联剂的晶体及溶液结构是胍的 N-氧化物形式，而不是脲化合物；6适用于固相肽合成的偶联剂7。
包装
1, 5, 25 g in poly bottle
Application
Reagent for: Synthesis of Aurora A kinase inhibitors1 HPLC assay to determine D- and L- acid enantiomers in human plasma2 Amide bond formation reactions3Catalyst for: Selective acylation4 Selecocyclization-oxidation deselenation sequence5