CAS No.769087-80-1,4-BENZYL-MORPHOLINE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	769087-80-1
Name:	4-BENZYL-MORPHOLINE-2-CARBOXYLIC ACID
Article Data:	2

Formula:	C₁₂H₁₅NO₃
Molecular Weight:	221.256
Synonyms:	4-Benzylmorpholine-2-carboxylicacid;4-Benzyl-2-morpholinecarboxylic acid;4-Benzyl-morpholine-2-carboxylic acid;
Density:	1.235 g/cm³
Boiling Point:	372.7 °C at 760 mmHg
Flash Point:	179.2 °C

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Specification

The 2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, with the CAS registry number 769087-80-1, is also known as 4-Benzyl-morpholine-2-carboxylic acid. It belongs to the product categories of Pharmacetical; Carboxylic Acids; Morpholines & Thiomorpholines. This chemical's molecular formula is C₁₂H₁₅NO₃ and molecular weight is 221.25. What's more, its systematic name is 4-Benzyl-2-morpholinecarboxylic acid.

Physical properties of 2-Morpholinecarboxylicacid, 4-(phenylmethyl)- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -2.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 58.893 cm³; (15)Molar Volume: 179.111 cm³; (16)Polarizability: 23.347×10^-24cm³; (17)Surface Tension: 52.1629981994629 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 179.179 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 372.66 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2OCCN(Cc1ccccc1)C2
(2)Std. InChI: InChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
(3)Std. InChIKey: UJDWIUOGWSDEFP-UHFFFAOYSA-N