CAS No.53448-09-2,D-Leucinol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53448-09-2
Name:	D-Leucinol
Article Data:	20

Formula:	C₆H₁₅NO
Molecular Weight:	117.191
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;
EINECS:	207-933-4
Density:	0.907 g/cm³
Boiling Point:	198.6 °C at 760 mmHg
Flash Point:	90.6 °C
Appearance:	clear pale yellow viscous liquid
Hazard Symbols:	C; C
Risk Codes:	34-22-36/37/38
Safety:	23-24/25-45-36/37/39-26-27
PSA:	46.25000
LogP:	1.05240

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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