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Benzenemethanamine,4-butyl-

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Name

Benzenemethanamine,4-butyl-

EINECS N/A
CAS No. 57802-79-6 Density 0.931 g/cm3
PSA 26.02000 LogP 3.18820
Solubility N/A Melting Point N/A
Formula C11H17N Boiling Point 256.5 °C at 760 mmHg
Molecular Weight 163.263 Flash Point 114 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-34
Molecular Structure Molecular Structure of 57802-79-6 (4-N-BUTYLBENZYLAMINE) Hazard Symbols N/A
Synonyms

Benzylamine,p-butyl- (6CI);4-Butylbenzylamine;p-Butylbenzylamine;

Article Data 2

Benzenemethanamine,4-butyl- Specification

The Benzenemethanamine,4-butyl- is an organic compound with the formula C11H17N. The systematic name of this chemical is 1-(4-butylphenyl)methanamine. With the CAS registry number 57802-79-6, it is also named as (4-butylphenyl)methanamine. The product's categories are Anilines, Aromatic Amines and Nitro Compounds.  

Physical properties about Benzenemethanamine,4-butyl- are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.3; (6)ACD/KOC (pH 5.5): 1.1; (7)ACD/KOC (pH 7.4): 11.02; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 53.51 cm3; (14)Molar Volume: 175.2 cm3; (15)Polarizability: 21.21×10-24cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 0.931 g/cm3; (18)Flash Point: 114 °C; (19)Enthalpy of Vaporization: 49.4 kJ/mol; (20)Boiling Point: 256.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0153 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc(cc1)CCCC
(2)InChI: InChI=1/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
(3)InChIKey: IBVGSPOHLFKLHM-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
(5)Std. InChIKey: IBVGSPOHLFKLHM-UHFFFAOYSA-N

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