L-Isoleucine,N-benzoyl- supplier

Name
N-Benzoyl-Isoleucine
EINECS
CAS No. 36578-01-5
Article Data7
CAS DataBase
Density 1.132 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzoyl-L-isoleucine;N-Benzoylisoleucine;NSC 334207;
PSA 66.40000
LogP 2.30660

L-Isoleucine,N-benzoyl- Specification

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

Product Name

N-Benzoyl-Isoleucine

L-Isoleucine,N-benzoyl- Specification

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