1-methyl-1-nitrosourea

• ChemBase ID: 128520
• Molecular Formular: C2H5N3O2
• Molecular Mass: 103.08
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-nitrosourea
• IUPAC Traditional name: N methyl N nitrosourea
• Synonyms: 1-Methyl-1-nitrosourea; N-Methyl-N-nitroso Urea(Contains Water); N-Nitroso-N-methylurea; MNU; N-Methyl-N-nitrosourea; N-Nitroso-N-methylurea

Database IDs

• CAS Number: 684-93-5
• EC Number: 211-678-4
• MDL Number: MFCD00014794
• Beilstein Number: 1756040
• PubChem SID: 24897498; 24897712; 162222827
• PubChem CID: 12699
• CHEBI ID: 50102
• CHEMBL: 288958
• Chemspider ID: 12177
• KEGG ID: C14595
• MeSH Name: Methylnitrosourea
• Wikipedia Title: N-Nitroso-N-methylurea

CALCULATED PROPERTIES

• Acid pKa: 14.374012
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5299995
• LogD (pH = 7.4): -0.52999943
• Log P: -0.5299995
• Molar Refractivity: 23.3964 cm^3
• Polarizability: 8.051961 Å^3
• Polar Surface Area: 75.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO (Sparingly); Water
• Apperance: Off-White to Pale Yellow Solid
• Melting Point: 85-87°C
• Partition Coefficient: -0.302
• pKa: 12.365
• pKb: 1.632

Safety Information

• Storage Condition: -20°C Freezer
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1325
• German water hazard class: 1
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 45-46-61-11-25; 45-46-61-25
• Safety Statements: 53-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H301-H350-H360
• GHS Precautionary statements: P201-P210-P301 + P310-P308 + P313
• Personal Protective Equipment: 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
• Storage Temperature: 2-8°C

Product Information

• Contains: aqueous acetic acid as stabilizer

DETAILS

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.

REFERENCES

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