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28529-34-2

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Basic Information
CAS No.: 28529-34-2
Name: Pentanamide,2-(acetylamino)-4-methyl-, (2S)-
Article Data: 5
Molecular Structure:
Molecular Structure of 28529-34-2 (Pentanamide,2-(acetylamino)-4-methyl-, (2S)-)
Formula: C8H16N2O2
Molecular Weight: 172.22
Synonyms: Valeramide, 2-acetamido-4-methyl-, L- (8CI);N-Acetyl-L-leucinamide;N-Acetyl-L-leucine amide;Pentanamide,2-(acetylamino)-4-methyl-, (S)-;(S)-2-(Acetylamino)-4-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)-4-methyl-, (2S)-, with the CAS registry number 28529-34-2, is also known as (S)-2-(Acetylamino)-4-methylpentanamide. This chemical's molecular formula is C8H16N2O2 and molecular weight is 172.22. What's more, its systematic name is N2-Acetyl-L-leucinamide and it belongs to the product category of Amino Acids. Besides, it should be stored at room temperature.

Physical properties of Pentanamide,2-(acetylamino)-4-methyl-, (2S)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.69; (8)ACD/KOC (pH 7.4): 20.69; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 168 cm3; (16)Polarizability: 18.32×10-24 cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 191.6 °C; (20)Enthalpy of Vaporization: 64.31 kJ/mol; (21)Boiling Point: 393.2 °C at 760 mmHg; (22)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)CC(C)C)C
(2)InChI: InChI=1/C8H16N2O2/c1-5(2)4-7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t7-/m0/s1
(3)InChIKey: PHPXQAHAQREGGN-ZETCQYMHSA-N