Benzamide,4-formyl-N-(1-methylethyl)- supplier

Name
4-CARBOXALDEHYDE-N-ISOPROPYLBENZAMIDE
EINECS 236-247-8
CAS No. 13255-50-0
Article Data10
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 367.8 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 157.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Terephthalaldehydamide,N-isopropyl- (8CI);4-Formyl-N-isopropylbenzamide;N-Isopropyl-4-formylbenzamide;N-Isopropyl-p-formylbenzamide;N-Isopropylterephthalaldehydamide;
PSA 46.17000
LogP 2.02820

Benzamide,4-formyl-N-(1-methylethyl)- Specification

The Benzamide,4-formyl-N-(1-methylethyl)-, with the CAS registry number 13255-50-0, is also known as N-Isopropyl-4-formylbenzamide. Its EINECS registry number is 236-247-8. This chemical's molecular formula is C₁₁H₁₃NO₂and molecular weight is 191.23. What's more, its systematic name is 4-Formyl-N-(propan-2-yl)benzamide.

Physical properties about Benzamide,4-formyl-N-(1-methylethyl)- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.52; (6)ACD/BCF (pH 7.4): 9.52; (7)ACD/KOC (pH 5.5): 174.66; (8)ACD/KOC (pH 7.4): 174.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 55.85 cm³; (15)Molar Volume: 174.8 cm³; (16)Polarizability: 22.14× 10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 61.43 kJ/mol; (21)Boiling Point: 367.8 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)C)c1ccc(C=O)cc1
(2)InChI: InChI=1/C11H13NO2/c1-8(2)12-11(14)10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)
(3)InChIKey: OMFHZDXZIJJKFP-UHFFFAOYAN

Product Name

4-CARBOXALDEHYDE-N-ISOPROPYLBENZAMIDE

Benzamide,4-formyl-N-(1-methylethyl)- Specification

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