Boc-Glu-ol supplier | CasNO.133565-42-1

Name
BOC-L-GLUTAMINOL
EINECS
CAS No. 133565-42-1
Article Data3
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₄
Boiling Point 466.7 °C at 760 mmHg
Molecular Weight 232.28
Flash Point 236.1 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, [4-amino-1-(hydroxymethyl)-4-oxobutyl]-, 1,1-dimethylethyl ester, (S)-;tert-butyl [(1S)-4-amino-1-(hydroxymethyl)-4-oxobutyl]carbamate;Carbamic acid, N-[(1S)-4-amino-1-(hydroxymethyl)-4-oxobutyl]-, 1,1-dimethylethyl ester;boc-Glutaminol;
PSA 101.65000
LogP 1.22870

Boc-Glu-ol Specification

The Boc-Glu-ol, with the CAS registry number 133565-42-1, has the systematic name of tert-butyl [(1S)-4-amino-1-(hydroxymethyl)-4-oxobutyl]carbamate. It belongs to the product categories of Amino Alcohol and Boc-Amino acid series. And it should be stored at -15°C. The molecular formula of the chemical is C₁₀H₂₀N₂O₄.

The characteristics of Boc-Glu-ol are as followings: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.97; (8)ACD/KOC (pH 7.4): 15.97; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 58.77 cm³; (15)Molar Volume: 204.6 cm³; (16)Polarizability: 23.29×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 236.1 °C; (20)Enthalpy of Vaporization: 84.01 kJ/mol; (21)Boiling Point: 466.7 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](CCC(=O)N)CO
(2)InChI: InChI=1/C10H20N2O4/c1-10(2,3)16-9(15)12-7(6-13)4-5-8(11)14/h7,13H,4-6H2,1-3H3,(H2,11,14)(H,12,15)/t7-/m0/s1
(3)InChIKey: UHPHBGOYBNCKNT-ZETCQYMHBJ

Product Name

BOC-L-GLUTAMINOL

Boc-Glu-ol Specification

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