1-methyl-1-nitrosourea

• ChemBase编号: 128520
• 分子式: C2H5N3O2
• 平均质量: 103.08
• 单一同位素质量: 103.03817642
• SMILES: CN(N=O)C(=O)N
• Canonical SMILES: O=NN(C(=O)N)C
• InChI: InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
• InChIKey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1-nitrosourea
• IUPAC传统名: N methyl N nitrosourea
• 别名: 1-Methyl-1-nitrosourea; N-Methyl-N-nitroso Urea(Contains Water); N-Nitroso-N-methylurea; MNU; N-Methyl-N-nitrosourea; N-Nitroso-N-methylurea

登记号

• CAS号: 684-93-5
• EC号: 211-678-4
• MDL号: MFCD00014794
• Beilstein号: 1756040
• PubChem SID: 24897498; 162222827; 24897712
• PubChem CID: 12699
• CHEBI ID: 50102
• CHEMBL: 288958
• Chemspider ID: 12177
• KEGG ID: C14595
• 医学主题词(MeSH): Methylnitrosourea
• 维基百科标题: N-Nitroso-N-methylurea

理论计算性质

• Acid pKa: 14.374012
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.5299995
• LogD (pH = 7.4): -0.52999943
• Log P: -0.5299995
• 摩尔折射率: 23.3964 cm^3
• 极化性: 8.051961 Å^3
• 极化表面积: 75.76 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: DMSO (Sparingly); Water
• 外观: Off-White to Pale Yellow Solid
• 熔点: 85-87°C
• 分配系数: -0.302
• pKa: 12.365
• pKb: 1.632

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1325
• 德国WGK号: 1
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 45-46-61-11-25; 45-46-61-25
• 安全公开号: 53-45
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H228-H301-H350-H360
• GHS警示性声明: P201-P210-P301 + P310-P308 + P313
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 其他组分: aqueous acetic acid as stabilizer

详细说明

Sigma Aldrich - N1517

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
DNA alkylating agent that is carcinogenic in many animal species. Although it can induce benign and malignant tumors in most organs, MNU is most often used to model mammary tumor initiation and progression.
Caution
Injecting any compatible solvent directly into the vial permits preparation of any desired strength solution without exposure.
包装
Packaged in a 100 mL serum bottle with butyl rubber stopper and aluminum tear seal.
Reconstitution
Dissolving the contents in 100 mL of solvent yields a 1% solution.
法律信息
Isopac is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - N4766

Biochem/physiol Actions
DNA alkylating agent that is carcinogenic in many animal species. Although it can induce benign and malignant tumors in most organs, MNU is most often used to model mammary tumor initiation and progression.
包装
Weight on dry basis.

Toronto Research Chemicals - M325815

Precursor of Diazomethane. It has a cytotoxicity effect.This product contains an undetermined amount of water.

参考文献

• Huggins, C., et al.: J. Exp. Med., 131, 321 (1970)
• Gullino, P.M., et al.: J. Natl. Cancer Inst., 54, 401 (1970)