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CAS No.: | 4289-97-8 |
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Name: | FOR-VAL-OH |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C6H11NO3 |
Molecular Weight: | 145.158 |
Synonyms: | NSC 334343;N-Formylvaline;N-Formyl-L-valine;Formylvaline;FVal;Valine, N-formyl-, L- (8CI);Valine,N-formyl- (7CI); |
EINECS: | 224-291-0 |
Density: | 1.124 g/cm3 |
Melting Point: | 153 °C |
Boiling Point: | 355.7 °C at 760 mmHg |
Flash Point: | 168.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 24/25 |
The L-Valine, N-formyl-, with the CAS registry number 4289-97-8, is also known as N-Formyl-L-valine. It belongs to the product category of Valine [Val, V]. Its EINECS registry number is 224-291-0. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.16. What's more, its IUPAC name is called 2-Formamido-3-methylbutanoic acid. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about L-Valine, N-formyl- are: (1)ACD/LogP: 0.27; (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: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.456; (12)Molar Refractivity: 35.1 cm3; (13)Molar Volume: 129 cm3; (14)Surface Tension: 39.8 dyne/cm; (15)Density: 1.124 g/cm3; (16)Flash Point: 168.9 °C; (17)Enthalpy of Vaporization: 66.01 kJ/mol; (18)Boiling Point: 355.7 °C at 760 mmHg; (19)Vapour Pressure: 5.12E-06 mmHg at 25 °C; (20)Melting Point: 153 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC=O)C(C)C
(2) InChI: InChI=1/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
(3) InChIKey: QBYYLBWFBPAOKU-YFKPBYRVBV