Benzeneacetonitrile, α-[(dimethylamino)methylene]-4-methoxy- supplier

Name
3-(DIMETHYLAMINO)-2-(4-METHOXYPHENYL)ACRYLONITRILE
EINECS
CAS No. 36758-77-7
Article Data3
CAS DataBase
Density 1.05g/cm³
Solubility
Melting Point 88-90°C
Formula C₁₂H₁₄N₂O
Boiling Point 427.4 °C at 760 mmHg
Molecular Weight 202.256
Flash Point 212.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile;3-(dimethylamino)-2-(4-methoxyphenyl)acrylonitrile;
PSA 36.26000
LogP 2.12128

Benzeneacetonitrile, α-[(dimethylamino)methylene]-4-methoxy- Specification

The Benzeneacetonitrile, α-[(dimethylamino)methylene]-4-methoxy-, with the CAS registry number 36758-77-7, has the systematic name of (2Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₁₄N₂O.

The characteristics of Benzeneacetonitrile, α-[(dimethylamino)methylene]-4-methoxy- are as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 36.26 Å²; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 60.36 cm³; (9)Molar Volume: 191.4 cm³; (10)Polarizability: 23.93×10^-24cm³; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.056 g/cm³; (13)Flash Point: 212.3 °C; (14)Enthalpy of Vaporization: 68.24 kJ/mol; (15)Boiling Point: 427.4 °C at 760 mmHg; (16)Vapour Pressure: 1.64E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#C/C(c1ccc(OC)cc1)=C\N(C)C
(2)InChI: InChI=1/C12H14N2O/c1-14(2)9-11(8-13)10-4-6-12(15-3)7-5-10/h4-7,9H,1-3H3/b11-9+
(3)InChIKey: JDLABNWECQGHOL-PKNBQFBNBV

Product Name

3-(DIMETHYLAMINO)-2-(4-METHOXYPHENYL)ACRYLONITRILE

Benzeneacetonitrile, α-[(dimethylamino)methylene]-4-methoxy- Specification

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