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4430-09-5

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Basic Information
CAS No.: 4430-09-5
Name: N N-DI-N-HEXYLANILINE 97
Article Data: 16
Molecular Structure:
Molecular Structure of 4430-09-5 (N N-DI-N-HEXYLANILINE 97)
Formula: C18H31N
Molecular Weight: 261.451
Synonyms: Dihexylamine,N-phenyl- (6CI,8CI);Dihexylphenylamine;N,N-Dihexylaniline;N-Phenyldihexylamine;
Density: 0.893 g/cm3
Boiling Point: 354.8 °C at 760 mmHg
Flash Point: 144.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 3.24000
LogP: 5.65360
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Specification

The Benzenamine,N,N-dihexyl-, with the CAS registry number 4430-09-5, is also known as Dihexylphenylamine. It belongs to the product categories of Amines; C11 to C38; Nitrogen Compounds. This chemical's molecular formula is C18H31N and molecular weight is 261.45. What's more, its IUPAC name is N,N-dihexylaniline.

Physical properties of Benzenamine,N,N-dihexyl- are: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.8; (4)ACD/LogD (pH 7.4): 7.61; (5)ACD/BCF (pH 5.5): 54151.34; (6)ACD/BCF (pH 7.4): 350770.81; (7)ACD/KOC (pH 5.5): 48997.2; (8)ACD/KOC (pH 7.4): 317384.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 86.89 cm3; (15)Molar Volume: 292.4 cm3; (16)Polarizability: 34.44×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.893 g/cm3; (19)Flash Point: 144.2 °C; (20)Enthalpy of Vaporization: 59.99 kJ/mol; (21)Boiling Point: 354.8 °C at 760 mmHg; (22)Vapour Pressure: 3.26E-05 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: CCCCCCN(CCCCCC)C1=CC=CC=C1
(2)InChI: InChI=1S/C18H31N/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
(3)InChIKey: DGYRVXQIGUEFFK-UHFFFAOYSA-N