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CAS No.: | 6319-95-5 |
---|---|
Name: | 3-MORPHOLIN-4-YL-PROPIONIC ACID HCL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H14ClNO3 |
Molecular Weight: | 195.646 |
Synonyms: | 3-(Morpholin-4-yl)propanoic acid hydrochloride; |
Boiling Point: | 299.2 °C at 760 mmHg |
Flash Point: | 134.8 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 49.77000 |
LogP: | 0.53320 |
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The 4-Morpholinepropanoicacid, hydrochloride (1:1), with the CAS registry number of 6319-95-5, is also known as 3-(Morpholin-4-yl)propanoic acid hydrochloride. Its molecular formula is C7H14ClNO3 and molecular weight is 195.64. What's more, its IUPAC name is 3-Morpholin-4-ylpropanoic acid hydrochloride.
Physical properties about the 4-Morpholinepropanoicacid, hydrochloride (1:1) 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)Flash Point: 134.8 °C; (14)Enthalpy of Vaporization: 59.31 kJ/mol; (15)Boiling Point: 299.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000286 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [H+].[Cl-].O=C(O)CCN1CCOCC1
(2) InChI: InChI=1/C7H13NO3.ClH/c9-7(10)1-2-8-3-5-11-6-4-8;/h1-6H2,(H,9,10);1H
(3) InChIKey: JLAHMPKUDAJSKA-UHFFFAOYAH