CAS No.245759-64-2,4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	245759-64-2
Name:	4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine
Article Data:	4

Formula:	C₁₇H₂₁NO
Molecular Weight:	407.51
Synonyms:	N-Benzyl-1-(4-methoxyphenyl)-2-propanamine;
EINECS:	256-155-1
Density:	1.025 g/cm³
Boiling Point:	377.8 °C at 760 mmHg
Flash Point:	160.3 °C
PSA:	21.26000
LogP:	3.80690

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Specification

The CAS register number of 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine is 245759-64-2. It also can be called as Benzeneethanamine, 4-methoxy-a-methyl-N-(phenylmethyl)- and the systematic name about this chemical is N-benzyl-1-(4-methoxyphenyl)propan-2-amine. The molecular formula about this chemical is C₁₇H₂₁NO and the molecular weight is 255.35.

Physical properties about 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.86; (6)ACD/KOC (pH 5.5): 2.58; (7)ACD/KOC (pH 7.4): 23.17; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 79.78 cm³; (14)Molar Volume: 249.1 cm³; (15)Polarizability: 31.63x10^-24cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Enthalpy of Vaporization: 62.56 kJ/mol; (18)Boiling Point: 377.8 °C at 760 mmHg; (19)Vapour Pressure: 6.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CC(NCc2ccccc2)C)C
(2)InChI: InChI=1/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3
(3)InChIKey: CVGPWMGXKOKNFD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3
(5)Std. InChIKey: CVGPWMGXKOKNFD-UHFFFAOYSA-N