CAS No.22818-43-5,L-BETA-HOMOLEUCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22818-43-5
Name:	L-BETA-HOMOLEUCINE
Article Data:	1

Formula:	C₇H₁₅NO₂
Molecular Weight:	145.202
Synonyms:	(3S)-3-Isobutyl-β-alanine;
Density:	1.014 g/cm³
Melting Point:	222-224 °C
Boiling Point:	249.115 °C at 760 mmHg
Flash Point:	104.461 °C
Appearance:	white crystals
Hazard Symbols:	Xi
PSA:	63.32000
LogP:	1.53480

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Specification

The Hexanoic acid,3-amino-5-methyl-, (3S)-, with the CAS registry number of 22818-43-5, is also known as (3S)-3-Isobutyl-β-alanine. This chemical's molecular formula is C₇H₁₅NO₂ and molecular weight is 145.2. What's more, its IUPAC name is (3S)-3-Amino-5-methylhexanoic acid.

Physical properties about the Hexanoic acid,3-amino-5-methyl- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 39.49 cm³; (15)Molar Volume: 143.1 cm³; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.014 g/cm³; (18)Flash Point: 104.5 °C; (19)Enthalpy of Vaporization: 53.55 kJ/mol; (20)Boiling Point: 249.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00744 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@@H](N)CC(C)C
(2) InChI: InChI=1/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
(3) InChIKey: MLYMSIKVLAPCAK-LURJTMIEBO