CAS No.133565-43-2,BOC-THR(BZL)-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133565-43-2
Name:	BOC-THR(BZL)-OL
Article Data:	12

Formula:	C₁₆H₂₅NO₄
Molecular Weight:	295.379
Synonyms:	Carbamicacid, [(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethylester (9CI);Carbamic acid, [1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-,1,1-dimethylethyl ester, [R-(R,R)]-;[(1R,2R)-2-Benzyloxy-1-(hydroxymethyl)propyl]carbamic acid tert-butyl ester;Boc-Thr(Bzl)-ol;Boc-Threoninol(Bzl);
Density:	1.089 g/cm³
Boiling Point:	449.023 °C at 760 mmHg
Flash Point:	225.361 °C
PSA:	67.79000
LogP:	2.86820

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Specification

The Carbamic acid,N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester with the CAS number 133565-43-2 is also called [(1R,2R)-2-Benzyloxy-1-(hydroxymethyl)propyl]carbamic acid tert-butyl ester. The systematic name is tert-butyl [(1R,2R)-2-(benzyloxy)-1-(hydroxymethyl)propyl]carbamate. Its molecular formula is C₁₆H₂₅NO₄. This chemical belongs to the following product categories: (1)Amino Acids; (2)Amino Alcohols; (3)Boc-Amino acid series. It should be stored at 0°C.

The properties of the Carbamic acid,N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 247; (6)ACD/BCF (pH 7.4): 247; (7)ACD/KOC (pH 5.5): 1795; (8)ACD/KOC (pH 7.4): 1795; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 67.79 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 81.398 cm³; (15)Molar Volume: 271.273 cm³; (16)Polarizability: 32.269×10^-24cm³; (17)Surface Tension: 39.738 dyne/cm; (18)Enthalpy of Vaporization: 74.574 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H]([C@H](OCc1ccccc1)C)CO
(2)InChI: InChI=1/C16H25NO4/c1-12(20-11-13-8-6-5-7-9-13)14(10-18)17-15(19)21-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m1/s1
(3)InChIKey: RXDBGDZAKNELGW-TZMCWYRMBX