L-(+)-Isoleucinol

The L-(+)-Isoleucinol, with the CAS registry number 24629-25-2, is also known as 5-Bromo-3-chlorobenzo[d]isoxazole. It belongs to the product categories of Pharmaceutical Intermediates; Amines; Blocks; Amino Alcohols; Isoleucine [Ile, I]; Amino Alcohols (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Chiral Compound; Amino alcohols. Its EINECS number is 246-371-4. This chemical's molecular formula is C₆H₁₅NO and molecular weight is 117.19. What's more, its systematic name is (2S,3S)-2-Amino-3-methyl-1-pentanol. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and acids. It is  is used as a pharmaceutical intermediate.

Physical properties of L-(+)-Isoleucinol are: (1)ACD/LogP: 0.246; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.85; (4)ACD/LogD (pH 7.4): -2.60; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.25 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 34.834 cm³; (15)Molar Volume: 129.513 cm³; (16)Polarizability: 13.809×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.905 g/cm³; (19)Flash Point: 100.556 °C; (20)Enthalpy of Vaporization: 50.391 kJ/mol; (21)Boiling Point: 196.874 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is harmful if swallowed and has a limited evidence of a carcinogenic effect. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H](N)[C@@H](C)CC
(2)Std. InChI: InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1
(3)Std. InChIKey: VTQHAQXFSHDMHT-NTSWFWBYSA-N