CAS No.57802-79-6,4-N-BUTYLBENZYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57802-79-6
Name:	4-N-BUTYLBENZYLAMINE
Article Data:	2

Formula:	C₁₁H₁₇N
Molecular Weight:	163.263
Synonyms:	Benzylamine,p-butyl- (6CI);4-Butylbenzylamine;p-Butylbenzylamine;
Density:	0.931 g/cm³
Boiling Point:	256.5 °C at 760 mmHg
Flash Point:	114 °C
Risk Codes:	20/21/22-34
Safety:	26-36/37/39
PSA:	26.02000
LogP:	3.18820

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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