dimethyl(2-nitroethenyl)amine

• ChemBase ID: 10003
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: CN(C)/C=C/[N+](=O)[O-]
• Canonical SMILES: CN(/C=C/[N+](=O)[O-])C
• InChI: InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
• InChIKey: JKOVQYWMFZTKMX-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-nitroethenyl)amine; dimethyl[(E)-2-nitroethenyl]amine
• IUPAC Traditional name: dimethyl(2-nitroethenyl)amine; dimethyl[(E)-2-nitroethenyl]amine
• Synonyms: 1-Dimethylamino-2-nitroethylene; N,N-Dimethyl-2-nitroethyleneamine; 1-(Dimethylamino)-2-nitroethylene; N1,N1-dimethyl-2-nitroeth-1-en-1-amine; N,N-Dimethyl-2-nitroethenamine; 1-(Dimethylamino)-2-nitroethylene 98%; 1-Dimethylamino-2-nitroethylene; 1-二甲基氨基-2-硝基乙烯; N,N-二甲基-2-硝基亚乙基胺; 1-二甲氨基-2-硝基乙烯

Database IDs

• CAS Number: 1190-92-7
• EC Number: 000-000-0
• MDL Number: MFCD00051519
• Beilstein Number: 1903136
• PubChem SID: 160973310; 24882525
• PubChem CID: 637928

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.11538854
• LogD (pH = 7.4): 0.12146595
• Log P: 0.12154399
• Molar Refractivity: 28.9801 cm^3
• Polarizability: 10.9636965 Å^3
• Polar Surface Area: 46.38 Å^2
• Rotatable Bonds: 2

PROPERTIES

Physical Property

• Melting Point: 101-105°C; 103-105°C; 103-107 °C(lit.)

Safety Information

• Storage Warning: IRRITANT, KEEP COLD; Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41-43; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C4H8N2O2

DETAILS

Sigma Aldrich - 632902

Packaging
5 g in glass bottle