Acetonitrile,2-[methyl(4-nitrophenyl)amino]- supplier

Name
N-CYANOMETHYL-N-METHYL-4-NITROANILINE
EINECS
CAS No. 107023-66-5
Article Data5
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point 112.5-113.4℃
Formula C₉H₉N₃O₂
Boiling Point 379.3 °C at 760 mmHg
Molecular Weight 191.189
Flash Point 183.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NPAN;Acetonitrile,[methyl(4-nitrophenyl)amino]- (9CI);N-(4-Nitrophenyl)-N-methylaminoacetonitrile;
PSA 72.85000
LogP 2.07778

Acetonitrile,2-[methyl(4-nitrophenyl)amino]- Specification

The Acetonitrile,2-[methyl(4-nitrophenyl)amino]-, with the CAS registry number 107023-66-5, is also known as N-Cyanomethyl-N-methyl-4-nitroaniline. It belongs to the product categories of Functional Materials; Organic Nonlinear Optical Materials. This chemical's molecular formula is C₉H₉N₃O₂ and molecular weight is 191.19. What's more, its systematic name is [Methyl(4-nitrophenyl)amino]acetonitrile.

Physical properties about Acetonitrile,2-[methyl(4-nitrophenyl)amino]- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.45; (6)ACD/BCF (pH 7.4): 10.45; (7)ACD/KOC (pH 5.5): 186.64; (8)ACD/KOC (pH 7.4): 186.64; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.85 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 51.65 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 20.47×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.281 g/cm³; (19)Flash Point: 183.2 °C; (20)Enthalpy of Vaporization: 62.73 kJ/mol; (21)Boiling Point: 379.3 °C at 760 mmHg; (22)Vapour Pressure: 5.91E-06 mmHg at 25 °C .

You can still convert the following datas into molecular structure:
(1) SMILES: CN(CC#N)c1ccc(cc1)N(=O)=O
(2) InChI: InChI=1/C9H9N3O2/c1-11(7-6-10)8-2-4-9(5-3-8)12(13)14/h2-5H,7H2,1H3
(3) InChIKey: DJOYTAUERRJRAT-UHFFFAOYAH

Product Name

N-CYANOMETHYL-N-METHYL-4-NITROANILINE

Acetonitrile,2-[methyl(4-nitrophenyl)amino]- Specification

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