Basic Information | Post buying leads | Suppliers |
Name |
3-Amino-tetrahydropyrane-3-carboxylic acid |
EINECS | N/A |
CAS No. | 1131623-12-5 | Density | 1.254 g/cm3 |
PSA | 72.55000 | LogP | 0.27920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H11NO3 | Boiling Point | 299.4 °C at 760 mmHg |
Molecular Weight | 145.1564 | Flash Point | 134.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Aminotetrahydro-2H-pyran-3-carboxylic acid; |
The 3-Amino-tetrahydropyrane-3-carboxylic acid, with the CAS registry number 1131623-12-5, is also known as 3-Aminotetrahydro-2H-pyran-3-carboxylic acid. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.1564. What's more, its IUPAC name is 3-Aminooxane-3-carboxylic acid.
Physical properties about 3-Amino-tetrahydropyrane-3-carboxylic acid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 72.55 Å2; (10)Index of Refraction: 1.503; (11)Molar Refractivity: 34.22 cm3; (12)Molar Volume: 115.7 cm3; (13)Polarizability: 13.56×10-24 cm3; (14)Surface Tension: 50.9 dyne/cm; (15)Density: 1.254 g/cm3; (16)Flash Point: 134.9 °C; (17)Enthalpy of Vaporization: 59.34 kJ/mol; (18)Boiling Point: 299.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000282 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(N)COCCC1
(2) InChI: InChI=1/C6H11NO3/c7-6(5(8)9)2-1-3-10-4-6/h1-4,7H2,(H,8,9)
(3) InChIKey: RBDJRWBQJANLBU-UHFFFAOYAP