N,N-dimethylmethanamine oxide

• ChemBase编号: 111485
• 分子式: C3H9NO
• 平均质量: 75.10966
• 单一同位素质量: 75.06841391
• SMILES: C[N+](C)(C)[O-]
• Canonical SMILES: [O-][N+](C)(C)C
• InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
• InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethylmethanamine oxide
• IUPAC传统名: trimethylamine-n-oxide
• 别名: 三甲胺N-氧化物; TRIMETHYLAMINE N-OXIDE DIHYDRATE; Trimethylamine N-oxide; N,N-Dimethylmethanamine N-Oxide Dihydrate; trimethylamine oxide; TMAe; TMANO; Trimethylamine N-oxide

登记号

• CAS号: 62637-93-8; 1184-78-7
• EC号: 214-675-6
• MDL号: MFCD00002048
• PubChem SID: 162103089; 24859089
• PubChem CID: 1145
• CHEBI ID: 15724
• Chemspider ID: 1113
• FEMA编号: 4245
• KEGG ID: C01104
• 美国药典/FDA物质标识码: FLD0K1SJ1A
• 维基百科标题: Trimethylamine_N-oxide
• Flavis Number: 11.025

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.9439699
• LogD (pH = 7.4): -0.9343444
• Log P: -0.9342057
• 摩尔折射率: 22.033 cm^3
• 极化性: 7.9283214 Å^3
• 极化表面积: 26.88 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: good in water
• 外观: colourless solid
• 熔点: 220–222 °C (hydrate: 96 °C); 220-222 °C(lit.); -97°C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 98%
• 级别: NI
• 线性分子式: (CH3)3N(O)

详细说明

MP Biomedicals - 05219470

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 317594

包装
1, 5 g in glass bottle
Application
有机金属化合物的脱金属化1和脱羰基化2,3试剂。介导硫醇向二硫化物的转化。4

Toronto Research Chemicals - T795790

Trimethylamine N-Oxide Dihydrate is as an oxygen transfer agent used to promote heterometallic cluster catalyzing coordinative hydrogenation. Trimethylamine N-Oxide Dihydrate is also used as a catalyst in the preparation of thermally stable TiO2 nanorod i

参考文献

• Li, Q. et al.: Fen. Cuihua, 12, 1 (1998)
• Patra, N. et al. Polym. Degrad. Stab., 96, 1377 (1998)
• Cozzoli, P.D. et al.: J. Am. Chem. Soc., 126, 3868 (1998)