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CAS No.: | 22148-82-9 |
---|---|
Name: | 1-METHYL-4-PHENYL-BUTYLAMINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H17N |
Molecular Weight: | 163.263 |
Synonyms: | Benzenebutanamine, a-methyl-, (?à)-; Butylamine, 1-methyl-4-phenyl-, (?à)- (8CI) |
Density: | 0.928g/cm3 |
Boiling Point: | 259.2 °C at 760 mmHg |
Flash Point: | 108.7 °C |
Hazard Symbols: | Xi |
PSA: | 26.02000 |
LogP: | 3.05680 |
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The Benzenebutanamine, a-methyl-, with CAS registry number 22148-82-9, has the systematic name of 5-phenylpentan-2-amine. Besides this, it is also called 1-Methyl-4-phenyl-butylamine. And the chemical formula of this chemical is C11H17N.
Physical properties of Benzenebutanamine, a-methyl-: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 53.19 cm3; (9)Molar Volume: 175.8 cm3; (10)Polarizability: 21.08×10-24cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 0.928 g/cm3; (13)Flash Point: 108.7 °C; (14)Enthalpy of Vaporization: 49.69 kJ/mol; (15)Boiling Point: 259.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0131 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCC(N)C
(2)InChI: InChI=1/C11H17N/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9,12H2,1H3
(3)InChIKey: RFKNDRWCBBUQAB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H17N/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9,12H2,1H3
(5)Std. InChIKey: RFKNDRWCBBUQAB-UHFFFAOYSA-N