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CAS No.: | 53284-84-7 |
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Name: | AMINO-(TETRAHYDRO-PYRAN-4-YL)-ACETIC ACID |
Molecular Structure: | |
Formula: | C7H13NO3 |
Molecular Weight: | 159.185 |
Synonyms: | 2-(Tetrahydropyran-4-yl)glycine;4'-Tetrahydropyranylglycine; |
Density: | 1.211g/cm3 |
Boiling Point: | 316.7 °C at 760 mmHg |
Flash Point: | 145.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 72.55000 |
LogP: | 0.52520 |
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The 4'-Tetrahydropyranylglycine with the CAS number 53284-84-7 is also called 2H-Pyran-4-acetic acid,a-aminotetrahydro-. The IUPAC name is 2-amino-2-(oxan-4-yl)acetic acid. Its molecular formula is C7H13NO3. The product category is Pharmacetical. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4'-Tetrahydropyranylglycine are: (1)ACD/LogP: -0.44; (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: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.77Å2; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 38.99 cm3; (13)Molar Volume: 131.4 cm3; (14)Polarizability: 15.45×10-24cm3; (15)Surface Tension: 49.7 dyne/cm; (16)Enthalpy of Vaporization: 61.36 kJ/mol; (17)Vapour Pressure: 8.62×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C1CCOCC1
(2)InChI: InChI=1/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)
(3)InChIKey: XLZJPHKIECMDPG-UHFFFAOYAL