CAS No.672309-94-3,(R)-2-CBZ-AMINO-BUTANE-1,4-DIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	672309-94-3
Name:	(R)-2-CBZ-AMINO-BUTANE-1,4-DIOL
Article Data:	2

Formula:	C₁₂H₁₇NO₄
Molecular Weight:	239.271
Synonyms:	(R)-2-Cbz-aminobutane-1,4-diol;Benzyl [(2R)-1,4-dihydroxybutan-2-yl]carbamate;
Density:	1.22 g/cm³
Boiling Point:	461 °C at 760 mmHg
Flash Point:	232.6 °C
PSA:	78.79000
LogP:	1.04700

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Specification

The CAS register number of (R)-2-Cbz-aminobutane-1,4-diol is 672309-94-3. It also can be called as Carbamic acid,[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]-, phenylmethyl ester (9CI) and the systematic name about this chemical is benzyl [(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate. The molecular formula about this chemical is C₁₂H₁₇NO₄and the molecular weight is 239.27.

Physical properties about (R)-2-Cbz-aminobutane-1,4-diol are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.73; (5)ACD/BCF (pH 7.4): 1.72; (6)ACD/KOC (pH 5.5): 51.42; (7)ACD/KOC (pH 7.4): 51.42; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 48Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 62.73 cm³; (14)Molar Volume: 195.9 cm³; (15)Polarizability: 24.86x10^-24cm³; (16)Surface Tension: 52.1 dyne/cm; (17)Enthalpy of Vaporization: 76.04 kJ/mol; (18)Boiling Point: 461 °C at 760 mmHg; (19)Vapour Pressure: 2.71E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@H](CCO)CO
(2)InChI: InChI=1/C12H17NO4/c14-7-6-11(8-15)13-12(16)17-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16)/t11-/m1/s1
(3)InChIKey: UZEHYMIWBJBOPW-LLVKDONJBU
(4)Std. InChI: InChI=1S/C12H17NO4/c14-7-6-11(8-15)13-12(16)17-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16)/t11-/m1/s1
(5)Std. InChIKey: UZEHYMIWBJBOPW-LLVKDONJSA-N