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

Name
N-butyl-4-(propan-2-yl)benzamide
EINECS
CAS No. 5436-68-0
Article Data1
CAS DataBase
Density 0.956 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁NO
Boiling Point 350.2 °C at 760 mmHg
Molecular Weight 219.3226
Flash Point 211.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzamide,N-butyl-p-isopropyl- (8CI);N-Butyl-4-isopropylbenzamide;NSC 21757;
PSA
LogP

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

The CAS registry number of Benzamide,N-butyl-4-(1-methylethyl)- is 5436-68-0. This chemical's molecular formula is C₁₄H₂₁NO and molecular weight is 219.3226. What's more, its systematic name is N-Butyl-4-(propan-2-yl)benzamide.

Physical properties about Benzamide,N-butyl-4-(1-methylethyl)- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 449.35; (6)ACD/BCF (pH 7.4): 449.35; (7)ACD/KOC (pH 5.5): 2756.27; (8)ACD/KOC (pH 7.4): 2756.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 67.95 cm³; (15)Molar Volume: 229.3 cm³; (16)Polarizability: 26.94×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.956 g/cm³; (19)Flash Point: 211.9 °C; (20)Enthalpy of Vaporization: 59.48 kJ/mol; (21)Boiling Point: 350.2 °C at 760 mmHg; (22)Vapour Pressure: 4.47E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C(C)C)NCCCC
(2)InChI: InChI=1/C14H21NO/c1-4-5-10-15-14(16)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
(3)InChIKey: LPZFWDIKAGQWDG-UHFFFAOYAX

Product Name

N-butyl-4-(propan-2-yl)benzamide

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

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