CAS No.112913-94-7,2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112913-94-7
Name:	2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine
Article Data:	3

Formula:	C₁₄H₁₉FN₂O₂
Molecular Weight:	266.31
Synonyms:	Acetamide, N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-;N-({4-[(4-Fluorophenyl)methyl]morpholin-2-yl}methyl)acetamide;
Density:	1.152 g/cm³
Melting Point:	120-122 °C
Boiling Point:	429.984 °C at 760 mmHg
Flash Point:	213.847 °C

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Specification

The 2-Acetylaminomethyl-4-(4-fluorobenzyl)-morpholine, with the CAS registry number 112913-94-7, is also known as Acetamide, N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C₁₄H₁₉FN₂O₂ and molecular weight is 266.31. What's more, its systematic name is N-{[4-(4-fluorobenzyl)morpholin-2-yl]methyl}acetamide.

Physical properties of 2-Acetylaminomethyl-4-(4-fluorobenzyl)-morpholine are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 27; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 41.57 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 70.363 cm³; (14)Molar Volume: 231.086 cm³; (15)Polarizability: 27.894×10^-24cm³; (16)Surface Tension: 39.708 dyne/cm; (17)Density: 1.152 g/cm³; (18)Flash Point: 213.847 °C; (19)Enthalpy of Vaporization: 68.537 kJ/mol; (20)Boiling Point: 429.984 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CN2CC(OCC2)CNC(=O)C
(2)InChI: InChI=1S/C14H19FN2O2/c1-11(18)16-8-14-10-17(6-7-19-14)9-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18)
(3)InChIKey: IYDYAXXGLUZOJN-UHFFFAOYSA-N