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L-(+)-Isoleucinol

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Name

L-(+)-Isoleucinol

EINECS 246-371-4
CAS No. 24629-25-2 Density 0.905 g/cm3
PSA 46.25000 LogP 1.05240
Solubility N/A Melting Point 36-39 °C(lit.)
Formula C6H15NO Boiling Point 196.874 °C at 760 mmHg
Molecular Weight 117.191 Flash Point 100.556 °C
Transport Information N/A Appearance white to light yellow crystalline solid
Safety 45-36/37/39-26-22 Risk Codes 34-22-40
Molecular Structure Molecular Structure of 24629-25-2 (L-(+)-Isoleucinol) Hazard Symbols CorrosiveC,IrritantXi,HarmfulXn
Synonyms

1-Pentanol,2-amino-3-methyl-, L-erythro- (8CI);(2S,3S)-2-Amino-3-methylpentan-1-ol;(2S,3S)-Isoleucinol;(S)-Isoleucinol;(S)-sec-Leucinol;L-Isoleucinol;[(1S,2S)-1-(Hydroxymethyl)-2-methylbutyl]amine;L-Ile-ol;H-Isoleucinol;L-(+)-Isoleucinol;

Article Data 30

L-(+)-Isoleucinol Specification

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 

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