CAS No.4497-04-5,3-MORPHOLIN-4-YL-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4497-04-5
Name:	3-MORPHOLIN-4-YL-PROPIONIC ACID
Article Data:	14

Formula:	C₇H₁₃NO₃
Molecular Weight:	159.185
Synonyms:	3-(4-Morpholinyl)propionic acid;4-Morpholinepropionicacid (7CI,8CI);3-Morpholinopropionic acid;N-(2-Carboxyethyl)morpholine;3-(Morpholino)propanoic acid;
Density:	1.159 g/cm³
Melting Point:	74-76 °C
Boiling Point:	299.2 °C at 760 mmHg
Flash Point:	134.8 °C
Hazard Symbols:	Xi
PSA:	49.77000
LogP:	0.53320

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Specification

The 4-Morpholinepropanoicacid, with the CAS registry number of 4497-04-5, is also known as N-(2-Carboxyethyl)morpholine. This chemical's molecular formula is C₇H₁₃NO₃ and molecular weight is 159.18. What's more, its IUPAC name is 3-Morpholin-4-ylpropanoic acid.

Physical properties about 4-Morpholinepropanoicacid are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -3.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 39.14 cm³; (15)Molar Volume: 137.2 cm³; (16)Surface Tension: 42 dyne/cm; (17)Density: 1.159 g/cm³; (18)Flash Point: 134.8 °C; (19)Enthalpy of Vaporization: 59.31 kJ/mol; (20)Boiling Point: 299.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000286 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCN1CCOCC1
(2) InChI: InChI=1/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
(3) InChIKey: YUYHRSGXZZVNMS-UHFFFAOYAK