Boc-D-Norleucine supplier | CasNO.55674-63-0

Name
BOC-D-NLE-OH
EINECS
CAS No. 55674-63-0
Article Data4
CAS DataBase
Density 1.063 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁NO₄
Boiling Point 362.1 °C at 760 mmHg
Molecular Weight 231.292
Flash Point 172.8 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-BOC-D-norleucine;N-tert-Butoxycarbonyl-D-norleucine;N-(tert-butoxycarbonyl)-D-norleucine;D-norleucine, N-[(1,1-dimethylethoxy)carbonyl]-;Boc-D-Nle-OH;Boc-D-norleucine;
PSA 75.63000
LogP 2.54540

Boc-D-Norleucine Specification

The Boc-D-Norleucine, with the CAS registry number 55674-63-0, has the systematic name of N-(tert-butoxycarbonyl)-D-norleucine. It should be stored at -15°C. And the molecular formula of the chemical is C₁₁H₂₁NO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Boc-D-Norleucine are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 59.86 cm³; (15)Molar Volume: 217.4 cm³; (16)Polarizability: 23.73×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.063 g/cm³; (19)Flash Point: 172.8 °C; (20)Enthalpy of Vaporization: 66.79 kJ/mol; (21)Boiling Point: 362.1 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-06 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](C(=O)O)CCCC
(2)InChI: InChI=1/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
(3)InChIKey: ZIOCIQJXEKFHJO-MRVPVSSYBI

Product Name

BOC-D-NLE-OH

Boc-D-Norleucine Specification

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