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D-Leucinol

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Name

D-Leucinol

EINECS 207-933-4
CAS No. 53448-09-2 Density 0.907 g/cm3
PSA 46.25000 LogP 1.05240
Solubility N/A Melting Point N/A
Formula C6H15NO Boiling Point 198.6 °C at 760 mmHg
Molecular Weight 117.191 Flash Point 90.6 °C
Transport Information N/A Appearance clear pale yellow viscous liquid
Safety 23-24/25-45-36/37/39-26-27 Risk Codes 34-22-36/37/38
Molecular Structure Molecular Structure of 53448-09-2 (D-Leucinol) Hazard Symbols CorrosiveC; CorrosiveC
Synonyms

1-Pentanol,2-amino-4-methyl-, (R)-;((R)-1-Hydroxymethyl-3-methylbutyl)amine;(-)-Leucinol;(2R)-2-Amino-4-methyl-1-pentanol;(2R)-4-Methylpentane-1-hydroxy-2-amine;(R)-(-)-2-Amino-4-methyl-1-pentanol;(R)-(-)-Leucinol;(R)-Leucinol;

Article Data 20

D-Leucinol Specification

The D-Leucinol, with CAS registry number 53448-09-2, belongs to the following product categories: (1)Leucine [Leu, L]; (2)Chiral Compound; (3)Amino alcohols. It has the systematic name of 2-amino-4-methylpentan-1-ol. This chemical is a kind of clear pale yellow viscous liquid. And it should be stored at the temperature of 0-6°C.

Physical properties of D-Leucinol: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -2.39; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 34.83 cm3; (15)Molar Volume: 129.5 cm3; (16)Polarizability: 13.8×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Enthalpy of Vaporization: 50.6 kJ/mol; (19)Vapour Pressure: 0.0897 mmHg at 25°C.

Preparation: this chemical can be prepared by D-leucine methyl ester. This reaction will need reagent NaBH4. The yield is about 76%.

Uses of D-Leucinol: it can be used to produce (S)-2-(2-methylpropyl)aziridine. This reaction will need reagent 1 M DTPP. The reaction time is 48 hour(s) with reaction temperature of 60 ℃. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
The D-Leucinol irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. And it may causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. So do not breathe vapour and avoid contact with skin and eyes.  If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(N)CC(C)C
(2)InChI: InChI=1/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3
(3)InChIKey: VPSSPAXIFBTOHY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3
(5)Std. InChIKey: VPSSPAXIFBTOHY-UHFFFAOYSA-N

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