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CAS No.: | 33228-44-3 |
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Name: | 4-PENTYLANILINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H17N |
Molecular Weight: | 163.263 |
Synonyms: | Aniline,p-pentyl- (6CI,8CI);4-Pentylaniline;4-Pentylbenzenamine;4-n-Pentylaniline;p-Amylaniline;p-Pentylaniline;p-n-Pentylaniline; |
EINECS: | 251-409-8 |
Density: | 0.937 g/cm3 |
Melting Point: | 46.25°C (estimate) |
Boiling Point: | 266.5 ºC at 760 mmHg |
Flash Point: | 113.5 ºC |
Solubility: | 84.2 mg/L in water at 25 ºC |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.02000 |
LogP: | 3.58270 |
The Benzenamine, 4-pentyl-, with the CAS registry number 33228-44-3, is also known as 4-Pentylbenzenamine. It belongs to the product categories of Alkyl; Alkylanilines; Anilines (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Amines; C11 to C38; Nitrogen Compounds. Its EINECS number is 251-409-8. This chemical's molecular formula is C11H17N and molecular weight is 163.26. What's more, its systematic name is 4-pentylaniline. It must be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Benzenamine, 4-pentyl- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 200.81; (6)ACD/BCF (pH 7.4): 278.21; (7)ACD/KOC (pH 5.5): 1409.59; (8)ACD/KOC (pH 7.4): 1952.9; (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: 1.532; (14)Molar Refractivity: 53.93 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 21.38×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.937 g/cm3; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 50.45 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00862 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC=C(C=C1)N
(2)InChI: InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
(3)InChIKey: DGFTWBUZRHAHTH-UHFFFAOYSA-N