bis(2H3)methyl(nitroso)amine

• ChemBase编号: 134721
• 分子式: C2H6N2O
• 平均质量: 74.08184
• 单一同位素质量: 74.04801282
• SMILES: CN(C)N=O
• Canonical SMILES: O=NN(C)C
• InChI: InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
• InChIKey: UMFJAHHVKNCGLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(^2H₃)methyl(nitroso)amine
• IUPAC传统名: bis(^2H₃)methyl(nitroso)amine
• 别名: N-亚硝基二甲胺-d6; N-Nitrosodimethylamine-d6; N-Nitrosodi-N-methylamine-d6; Dimethylnitrosamine-d6; NDMA-d6; NSC 23226-d6; N-Nitrosodimethylamine-d6

登记号

• CAS号: 17829-05-9
• MDL号: MFCD00144986
• PubChem SID: 24881311; 162228997
• PubChem CID: 146418

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.037811242
• LogD (pH = 7.4): 0.038603622
• Log P: 0.038613822
• 摩尔折射率: 20.0505 cm^3
• 极化性: 6.93889 Å^3
• 极化表面积: 32.67 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

• 溶解度: Acetone; Dichloromethane; Ethyl Acetate
• 外观: Yellow Oil
• 沸点: 153 °C/774 mmHg(lit.)
• 闪点: 141.8 °F; 61 °C
• 密度: 1.086 g/mL at 25 °C
• 质量偏移: M+6

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3382
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 45-25-26-48/25-51/53
• 安全公开号: 53-45-61
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H330-H350-H372-H411
• GHS警示性声明: P201-P260-P273-P284-P301 + P310-P310
• RID/ADR: UN 3382 6.1/PG 1

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 80.00 by atom % calculation
• 线性分子式: (CD3)2NNO

详细说明

Sigma Aldrich - 591068

包装
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - N525627

A labelled highly toxic semi-volatile organic compound and a suspected human carcinogen. It induces liver tumors in rats after chronic exposure to low doses.

参考文献

• Peto, R. et al.: Cancer Res., 51, 6452 (1991)
• Lee, E. et al.: J. Pharm. Pharmacol., 55, 1169 (1991)