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| CAS No.: | 146944-27-6 |
|---|---|
| Name: | (4-BENZYL-MORPHOLIN-2-YL)-ACETIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C13H17NO3 |
| Molecular Weight: | 235.283 |
| Synonyms: | (4-Benzylmorpholin-2-yl)acetic acid; |
| Density: | 1.182g/cm3 |
| Boiling Point: | 391.147 °C at 760 mmHg |
| Flash Point: | 190.359 °C |
| PSA: | 49.77000 |
| LogP: | 1.30000 |
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Specification
The (4-Benzylmorpholin-2-yl)acetic acid with the cas number 146944-27-6 is also called 2-Morpholineaceticacid, 4-(phenylmethyl)-. Both the systematic name and IUPAC name are 2-(4-benzylmorpholin-2-yl)acetic acid. Its molecular formula is C13H17NO3. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Morpholines & Thiomorpholines; (3)Carboxylic Acids; (4)Morpholines & Thiomorpholines.
The properties of the chemical are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 49.77 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 63.676 cm3; (13)Molar Volume: 199.059 cm3; (14)Polarizability: 25.243×10-24cm3; (15)Surface Tension: 47.081 dyne/cm; (16)Enthalpy of Vaporization: 67.576 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCOC(C2)CC(=O)O
(2)InChI: InChI=1/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
(3)InChIKey: ZYXIOXNUKBMPQJ-UHFFFAOYAW