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CAS No.: | 6342-19-4 |
---|---|
Name: | MORPHOLIN-4-YL-PHENYL-ACETIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H15NO3 |
Molecular Weight: | 221.25 |
Synonyms: | NSC49409;alpha-Phenyl-4-morpholineacetic acid; |
Density: | 1.237 g/cm3 |
Melting Point: | 202 °C (decomp)(Solv: benzene (71-43-2)) |
Boiling Point: | 347.9 °C at 760 mmHg |
Flash Point: | 164.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 49.77000 |
LogP: | 1.08240 |
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The 4-Morpholineaceticacid, alpha-phenyl-, with the CAS registry number 6342-19-4, is also known as Morpholin-4-yl(phenyl)acetic acid. This chemical's molecular formula is C12H15NO3 and molecular weight is 221.105193. Its IUPAC name is called 2-morpholin-4-yl-2-phenylacetic acid.
Physical properties of 4-Morpholineaceticacid, alpha-phenyl-: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.11; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 58.98 cm3; (13)Molar Volume: 178.7 cm3; (14)Surface Tension: 52.5 dyne/cm; (15)Density: 1.237 g/cm3; (16)Flash Point: 164.2 °C; (17)Enthalpy of Vaporization: 62.5 kJ/mol; (18)Boiling Point: 347.9 °C at 760 mmHg; (19)Vapour Pressure: 1.96E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C(C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C12H15NO3/c14-12(15)11(10-4-2-1-3-5-10)13-6-8-16-9-7-13/h1-5,11H,6-9H2,(H,14,15)
(3)InChIKey: OZJNQHRPTQSJDF-UHFFFAOYSA-N