diethyl(nitroso)amine

• ChemBase ID: 132570
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: CCN(CC)N=O
• Canonical SMILES: CCN(N=O)CC
• InChI: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
• InChIKey: WBNQDOYYEUMPFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(nitroso)amine
• IUPAC Traditional name: DANA
• Synonyms: N-Nitrosodiethylamine; Diethylnitrosamine; N-Ethyl-N-nitrosoethanamine; DEN; DENA; Diethylnitrosamide; Diethylnitrosoamine; N,N-Diethylnitrosoamine; N-Nitroso-N,N-diethylamine; NDEA; NSC 132; Nitrosodiethylamin; N-Nitrosodiethylamine; 二乙基亚硝胺; N-亚硝基二乙胺

Database IDs

• CAS Number: 55-18-5
• EC Number: 200-226-1
• MDL Number: MFCD00013890
• Beilstein Number: 1744991
• PubChem SID: 162226847; 24897417; 24897440; 24867961; 24886617
• PubChem CID: 5921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7517206
• LogD (pH = 7.4): 0.7522233
• Log P: 0.75222975
• Molar Refractivity: 29.5477 cm^3
• Polarizability: 10.586163 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil; yellow liquid
• Boiling Point: 177 °C(lit.)
• Density: 0.95 g/mL(lit.)
• Refractive Index: n20/D 1.437

Safety Information

• Storage Condition: Refrigerator
• RTECS: IA3500000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 45-22
• Safety Statements: 53-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H350
• GHS Precautionary statements: P201-P301 + P310-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥99.0% (GC)
• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: (C2H5)2NNO

DETAILS

Sigma Aldrich - N0258

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Carcinogenic in all animal species tested. The main target organs are the nasal cavity, trachea, lung, esophagus and liver.
Caution
Injecting any compatible solvent permits preparation of any desired strength solution without exposure.
包装
1 g in serum bottle
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 - N0756

Biochem/physiol Actions
Carcinogenic in all animal species tested. The main target organs are the nasal cavity, trachea, lung, esophagus and liver.
包装
10, 25 mL in glass bottle
Bulk Package

Sigma Aldrich - 73861

Packaging
10 mL in glass bottle

Toronto Research Chemicals - N525465

N-Nitrosodiethylamine (DEN) is a widely occurring nitrosamine that is one of the most important environmental carcinogens primarily inducing tumors of liver.

REFERENCES

• Farber, E., et al.: Cancer Res., 44, 4217 (1984)
• El-Demerdash, E., et al.: Anticancer Res., 22, 977 (1984)
• Kweon, S., et al.: Life Sci., 73, 2515 (1984)