4H-Pyran-4-one,2-(aminomethyl)-5-hydroxy- supplier

Name
Aminokojic acid
EINECS
CAS No. 68642-64-8
Density 1.435 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₃
Boiling Point 336 °C at 760 mmHg
Molecular Weight 141.126
Flash Point 157 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Aminomethyl)-5-hydroxy-4H-pyran-4-one;
PSA 96.69000
LogP 0.00110

4H-Pyran-4-one,2-(aminomethyl)-5-hydroxy- Specification

The 4H-Pyran-4-one,2-(aminomethyl)-5-hydroxy-, with the CAS registry number of 68642-64-8, is also known as 2-(Aminomethyl)-5-hydroxy-4H-pyran-4-one. Its molecular formula is C₆H₇NO₃ and molecular weight is 141.124680. What's more, its IUPAC name is 2-(Aminomethyl)-5-hydroxypyran-4-one.

Physical properties about the 4H-Pyran-4-one,2-(aminomethyl)-5-hydroxy- are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.59; (4)ACD/LogD (pH 7.4): -2.94; (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: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 33.81 cm³; (15)Molar Volume: 98.2 cm³; (16)Surface Tension: 66.5 dyne/cm; (17)Density: 1.435 g/cm³; (18)Flash Point: 157 °C; (19)Enthalpy of Vaporization: 67.09 kJ/mol; (20)Boiling Point: 336 °C at 760 mmHg; (21)Vapour Pressure: 7.99E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(\O/C=C1/O)CN
(2) InChI: InChI=1/C6H7NO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2,7H2
(3) InChIKey: AULIQBZSRZXJJU-UHFFFAOYAP

Product Name

Aminokojic acid

4H-Pyran-4-one,2-(aminomethyl)-5-hydroxy- Specification

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