N-(3-{[2,6-bis(propan-2-yl)phenyl]imino}butan-2-ylidene)-2,6-bis(propan-2-yl)aniline

• ChemBase编号: 141624
• 分子式: C28H40N2
• 平均质量: 404.6306
• 单一同位素质量: 404.31914929
• SMILES: CC(c1c(c(ccc1)C(C)C)/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C
• Canonical SMILES: CC(c1cccc(c1/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C(C)C)C
• InChI: InChI=1S/C28H40N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3
• InChIKey: YUFQUBWPYIPRHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-{[2,6-bis(propan-2-yl)phenyl]imino}butan-2-ylidene)-2,6-bis(propan-2-yl)aniline
• IUPAC传统名: N-{3-[(2,6-diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline
• 别名: N,N′-双(2,6-二异丙基苯基)-2,3-丁二亚胺; 二乙酰基双(2,6-异丙基苯基亚胺); 2,3-双(2,6-二异丙苯亚氨基)丁烷; N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine; N,N′-Bis(2,6-diisopropylphenyl)-2,3-butanediimine; Diacetyl-bis(2,6-isopropylphenylimine); 2,3-Bis(2,6-diisopropylphenylimino)butane

登记号

• CAS号: 74663-77-7
• MDL号: MFCD01862435
• Beilstein号: 6746881
• PubChem SID: 162235858
• PubChem CID: 608871

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 9.652317
• LogD (pH = 7.4): 9.698432
• Log P: 9.699053
• 摩尔折射率: 135.7952 cm^3
• 极化性: 50.604362 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• GHS危险声明: H413
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97.5-102.5% (with HClO4, titration); 98%
• Empirical Formula (Hill Notation): C28H40N2

详细说明

Sigma Aldrich - 690503

包装
500 mg in poly bottle
Application
Reactant for synthesis of:
• Lanthanide(II)-alkali sandwich complexes1
• Imido-amido Hf complexes2
• Alkali metal compounds3
• Tetracoordinated molybdenum(II) complexes4Reactant for:
• Complexation of dimethylmagnesium with α-diimines5
• Transfer of tin and germanium atoms from N-heterocyclic stannylenes and germylenes to diazadienes6