N,N-diethyl-4-nitrosoaniline

• ChemBase ID: 87434
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(=O)c1ccc(cc1)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1)N=O)CC
• InChI: InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3
• InChIKey: OLNMJIHADFYHAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-nitrosoaniline
• IUPAC Traditional name: N,N-diethyl-4-nitrosoaniline
• Synonyms: N,N-Diethyl-4-nitrosoaniline; 4-Nitroso-N,N-diethylaniline; N,N-Diethyl-4-nitrosoaniline; N,N-Diethyl-4-nitrosoaniline; 4-NITROSO-N,N-DIETHYLANILINE; N,N-二乙基-4-亚硝基苯胺

Database IDs

• CAS Number: 120-22-9
• EC Number: 204-379-5
• MDL Number: MFCD00002064
• PubChem SID: 24848179; 162074513
• PubChem CID: 67115

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8673892
• LogD (pH = 7.4): 2.8725474
• Log P: 2.8726137
• Molar Refractivity: 55.5572 cm^3
• Polarizability: 19.832724 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-84°C; 82-84 °C(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Flammable/Toxic
• RTECS: BX3610000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2811; UN2926
• German water hazard class: 3
• Hazard Class: 4.1; 6.1
• Packing Group: 1; II
• Risk Statements: 11-23/24/25-33; 23/24/25
• Safety Statements: 22-36/37/39-45; 7-16-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H300-H310-H330-H373; H301-H311-H331
• GHS Precautionary statements: P210-P301+P310-P304+P340-P320-P330-P361-P405-P501A; P261-P280-P301 + P310-P311
• 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 2811 6.1/PG 1

Product Information

• Purity: 97%
• Linear Formula: ONC6H4N(C2H5)2

DETAILS

MP Biomedicals - 02155927

(N,N-Diethyl-4-nitrosoaniline)

Sigma Aldrich - 134732

Packaging
50 g in glass bottle