CAS No.21244-34-8,1-(4-ISOPROPOXYPHENYL)METHANAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21244-34-8
Name:	1-(4-ISOPROPOXYPHENYL)METHANAMINE
Article Data:	3

Formula:	C₁₀H₁₅NO
Molecular Weight:	165.235
Synonyms:	Benzylamine,p-isopropoxy- (6CI,8CI);4-Isopropoxybenzylamine;p-Isopropoxybenzylamine;
Density:	0.99g/cm³
Boiling Point:	259.2 °C at 760 mmHg
Flash Point:	108.3 °C
PSA:	35.25000
LogP:	2.63280

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Specification

The Benzenemethanamine,4-(1-methylethoxy)-, with CAS registry number 21244-34-8, has the systematic name of 1-[4-(1-methylethoxy)phenyl]methanamine. Besides this, it is also called 1-(4-Isopropoxyphenyl)methanamine. And the chemical formula of this chemical is C₁₀H₁₅NO.

Physical properties of Benzenemethanamine,4-(1-methylethoxy)-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -0.52; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 50.6 cm³; (15)Molar Volume: 166.8 cm³; (16)Polarizability: 20.06×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 108.3 °C; (20)Enthalpy of Vaporization: 49.69 kJ/mol; (21)Boiling Point: 259.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0131 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CN)C(C)C
(2)InChI: InChI=1/C10H15NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3
(3)InChIKey: BHCAOBYOKNTDLI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H15NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3
(5)Std. InChIKey: BHCAOBYOKNTDLI-UHFFFAOYSA-N