Benzamide,4-cyano-N-methoxy-N-methyl- supplier

Name
4-CYANO-N-METHOXY-N-METHYLBENZAMIDE
EINECS
CAS No. 116332-64-0
Article Data17
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 78-80
Formula C₁₀H₁₀N₂O₂
Boiling Point 383.3 °C at 760 mmHg
Molecular Weight 190.202
Flash Point 185.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-CYANO-N-METHOXY-N-METHYLBENZAMIDE;4-CYANO-N-METHOXY-N-METHYLBENZENECARBOXAMIDE;4-[Methoxy(methyl)carbamoyl]benzonitrile
PSA 53.33000
LogP 1.19168

Benzamide,4-cyano-N-methoxy-N-methyl- Specification

The Benzamide,4-cyano-N-methoxy-N-methyl-, with its CAS registry number 116332-64-0, has the systematic name of 4-cyano-N-methoxy-N-methylbenzamide. With the molecular foumula of C₁₀H₁₀N₂O₂, its formula weight is 190.2.

The characteristics of Benzamide,4-cyano-N-methoxy-N-methyl- are as follows: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.97; (5)ACD/BCF (pH 7.4): 3.97; (6)ACD/KOC (pH 5.5): 93.45; (7)ACD/KOC (pH 7.4): 93.45; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.33 Å²; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 50.94 cm³; (14)Molar Volume: 159.2 cm³; (15)Polarizability: 20.19×10^-24cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.19 g/cm³; (18)Flash Point: 185.6 °C; (19)Enthalpy of Vaporization: 63.18 kJ/mol; (20)Boiling Point: 383.3 °C at 760 mmHg; (21)Vapour Pressure: 4.43E-06 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1ccc(cc1)C(=O)N(C)OC
(2)InChI:InChI=1/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
(3)InChIKey:BZGBXNBROBZKLC-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
(5)Std. InChIKey:BZGBXNBROBZKLC-UHFFFAOYSA-N

Product Name

4-CYANO-N-METHOXY-N-METHYLBENZAMIDE

Benzamide,4-cyano-N-methoxy-N-methyl- Specification

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