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56711-06-9

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Basic Information
CAS No.: 56711-06-9
Name: AC-ILE-NH2
Molecular Structure:
Molecular Structure of 56711-06-9 (AC-ILE-NH2)
Formula: C8H16N2O2
Molecular Weight: 172.22
Synonyms: Pentanamide,2-(acetylamino)-3-methyl-, [S-(R*,R*)]-;N-Acetyl-L-isoleucinamide;(2S,3S)-2-(Acetylamino)-3-methylpentanamide;
Density: 1.024 g/cm3
Boiling Point: 393.2 °C at 760 mmHg
Flash Point: 191.6 °C
PSA: 72.19000
LogP: 1.11370
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Specification

The Pentanamide,2-(acetylamino)-3-methyl-, (2S,3S)-, with the CAS registry number 56711-06-9, is also known as (2S,3S)-2-(Acetylamino)-3-methylpentanamide. This chemical's molecular formula is C8H16N2O2 and molecular weight is 172.22. What's more, its systematic name is N2-Acetyl-L-isoleucinamide and its storage temperature is 0-5 °C.

Physical properties of Pentanamide,2-(acetylamino)-3-methyl-, (2S,3S)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 40.62 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 46.21 cm3; (9)Molar Volume: 168 cm3; (10)Polarizability: 18.32×10-24 cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Density: 1.024 g/cm3; (13)Flash Point: 191.6 °C; (14)Enthalpy of Vaporization: 64.31 kJ/mol; (15)Boiling Point: 393.2 °C at 760 mmHg; (16)Vapour Pressure: 2.16E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)N)[C@H](CC)C)C
(2)InChI: InChI=1/C8H16N2O2/c1-4-5(2)7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t5-,7-/m0/s1
(3)InChIKey: WFBXRBMLCXMBBM-FSPLSTOPSA-N