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Name |
L-Isoleucine,N-benzoyl- |
EINECS | N/A |
CAS No. | 36578-01-5 | Density | 1.132 g/cm3 |
PSA | 66.40000 | LogP | 2.30660 |
Solubility | N/A | Melting Point |
117-118 °C |
Formula | C13H17NO3 | Boiling Point | 458.8 °C at 760 mmHg |
Molecular Weight | 235.283 | Flash Point | 231.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-Benzoyl-L-isoleucine;N-Benzoylisoleucine;NSC 334207; |
Article Data | 7 |
The L-Isoleucine,N-benzoyl- is an organic compound with the formula C13H17NO3. The systematic name of this chemical is N-benzoylisoleucine. With the CAS registry number 36578-01-5, it is also named as 2-Benzoylamino-3-methyl-pentanoic acid.
Physical properties about L-Isoleucine,N-benzoyl- are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.41; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 64.52 cm3; (13)Molar Volume: 207.6 cm3; (14)Polarizability: 25.57×10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.132 g/cm3; (17)Flash Point: 231.3 °C; (18)Enthalpy of Vaporization: 75.78 kJ/mol; (19)Boiling Point: 458.8 °C at 760 mmHg; (20)Vapour Pressure: 3.26E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)C(C)CC)c1ccccc1
(2)InChI: InChI=1/C13H17NO3/c1-3-9(2)11(13(16)17)14-12(15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)(H,16,17)
(3)InChIKey: KCQBCDKSKWGCEK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H17NO3/c1-3-9(2)11(13(16)17)14-12(15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)(H,16,17)
(5)Std. InChIKey: KCQBCDKSKWGCEK-UHFFFAOYSA-N