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(4-Benzylmorpholin-2-yl)acetic acid

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Name

(4-Benzylmorpholin-2-yl)acetic acid

EINECS N/A
CAS No. 146944-27-6 Density 1.182g/cm3
PSA 49.77000 LogP 1.30000
Solubility N/A Melting Point N/A
Formula C13H17NO3 Boiling Point 391.147 °C at 760 mmHg
Molecular Weight 235.283 Flash Point 190.359 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 146944-27-6 ((4-BENZYL-MORPHOLIN-2-YL)-ACETIC ACID) Hazard Symbols N/A
Synonyms

(4-Benzylmorpholin-2-yl)acetic acid;

Article Data 2

(4-Benzylmorpholin-2-yl)acetic acid 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

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