O-tert-butylhydroxylamine hydrochloride

• ChemBase编号: 81897
• 分子式: C4H12ClNO
• 平均质量: 125.59718
• 单一同位素质量: 125.06074169
• SMILES: O(C(C)(C)C)N.Cl
• Canonical SMILES: NOC(C)(C)C.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H
• InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: O-tert-butylhydroxylamine hydrochloride
• IUPAC传统名: O-tert-butylhydroxylamine hydrochloride
• 别名: O-tert-Butylhydroxylamine 盐酸盐; O-叔丁基羟胺 盐酸盐; O-(tert-Butyl)hydroxylamine hydrochloride; 2-Aminooxy-2-methylpropane hydrochloride; O-(1,1-Dimethylethyl)hydroxylamine hydrochloride; tert-Butoxyamine hydrochloride; O-tert-Butylhydroxylamine hydrochloride; O-tert-butylhydroxylamine hydrochloride; O-tert-Butylhydroxylamine hydrochloride; O-t-Butylhydroxylamine hydrochloride

登记号

• CAS号: 39684-28-1
• EC号: 254-590-1
• MDL号: MFCD00043272
• Beilstein号: 3668106
• PubChem SID: 24891858; 162069016; 24851352
• PubChem CID: 2777906

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.637605
• LogD (pH = 7.4): 0.6907032
• Log P: 0.691424
• 摩尔折射率: 26.1366 cm^3
• 极化性: 10.314882 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: ~155 °C (dec.); 158 - 159°C; 158-159 °C(lit.)
• 疏水性(logP): 0.184

安全信息

• 保存注意事项: Highly Flammable/Hygroscopic/Store under Argon
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 11
• GHS危险品标识: GHS02
• GHS警示词: Warning
• GHS危险声明: H228
• GHS警示性声明: P210
• 个人保护装置: Eyeshields, 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 1325 4.1/PG 3

产品相关信息

• 纯度: ≥99%; ≥99.0% (AT); 95%; 99%
• 线性分子式: (CH3)3CONH2 · HCl

详细说明

Sigma Aldrich - B5765

包装
5 g in glass bottle
Application
Reactant involved in synthesis of biologically active molecules including:
• CGS 25966 derivatives for use as MMP inhibitors1
• Imidazolidinedione derivatives for use as antimalarial treatments2
• Pyrimidine ribonucleotide analogs as P2Y6 receptor agonists3
• Rab proteins for isoprenylation and geranylgeranylation inhibition4Reactant involved in:
• Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalents5
• Double allylic alkylation of indole-2-hydroxamates6
• SN2 substitution reactions at amide nitrogens7
• Photocycloaddition to C=N bonds for synthesis of 1,3-diazepines8

Sigma Aldrich - 20023

Other Notes
用于制备 N-叔丁氧基氨基酸的试剂，N-叔丁氧基氨基酸可作为 N-羟基多肽 unambiguous synthesis 的底物9
包装
1, 5 g in glass bottle
Application
Reactant involved in synthesis of biologically active molecules including:
• CGS 25966 derivatives for use as MMP inhibitors1
• Imidazolidinedione derivatives for use as antimalarial treatments2
• Pyrimidine ribonucleotide analogs as P2Y6 receptor agonists3
• Rab proteins for isoprenylation and geranylgeranylation inhibition4Reactant involved in:
• Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalents5
• Double allylic alkylation of indole-2-hydroxamates6
• SN2 substitution reactions at amide nitrogens7
• Photocycloaddition to C=N bonds for synthesis of 1,3-diazepines8