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CAS No.: | 13214-66-9 |
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Name: | 4-PHENYLBUTYLAMINE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C10H15N |
Molecular Weight: | 149.236 |
Synonyms: | Butylamine,4-phenyl- (6CI,7CI,8CI);1-Amino-4-phenylbutane;4-Benzenebutanamine;4-Phenyl-1-aminobutane;4-Phenyl-1-butylamine;4-Phenyl-n-butylamine;4-Phenylbutan-1-amine;4-Phenylbutanamine;4-Phenylbutylamine;d-Phenbutylamine;d-Phenyl-n-butylamine; |
EINECS: | 236-186-7 |
Density: | 0.938g/cm3 |
Melting Point: | 143°C (estimate) |
Boiling Point: | 240.8 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Appearance: | clear, colorless liquid. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.02000 |
LogP: | 2.66830 |
The Benzenebutanamine, with CAS registry number 13214-66-9, belongs to the following product categories: (1)Amines; (2)C9 to C10; (3)Nitrogen Compounds. It has the systematic name of 4-phenylbutan-1-amine. Besides this, it is also called 4-Phenylbutylamine. And the chemical formula of this chemical is C10H15N. What's more, its EINECS is 236-186-7.
Physical properties of Benzenebutanamine: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 48.6 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 19.26×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 0.938 g/cm3; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 47.77 kJ/mol; (21)Boiling Point: 240.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0373 mmHg at 25°C.
Uses of Benzenebutanamine: it can be used to produce 4-phenyl-butyronitrile. This reaction will need reagent phenylseleninic anhydride and solvent pyridine. The reaction temperature is 70 ℃. The yield is about 65%.
When you are using this chemical, please be cautious about it as the following:
The Benzenebutanamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCCN
(2)InChI: InChI=1/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
(3)InChIKey: AGNFWIZBEATIAK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
(5)Std. InChIKey: AGNFWIZBEATIAK-UHFFFAOYSA-N