Boc-N-Me-D-Val-OH supplier | CasNO.89536-85-6

Name
BOC-D-MEVAL-OH
EINECS
CAS No. 89536-85-6
Article Data11
CAS DataBase
Density 1.069 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁NO₄
Boiling Point 322.4 °C at 760 mmHg
Molecular Weight 231.292
Flash Point 148.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-2-[(tert-Butoxycarbonyl)(methyl)amino]-3-methylbutanoicacid;
PSA 66.84000
LogP 1.96250

Boc-N-Me-D-Val-OH Specification

The Boc-N-Me-D-Val-OH, with CAS registry number 89536-85-6, has the systematic name of N-(tert-butoxycarbonyl)-N-methyl-D-valine. Besides this, it is also called Boc-N-Me-Val-OH. And the chemical formula of this chemical is C₁₁H₂₁NO₄. What's more, this chemical should be stored at the temperature of 0-5°C.

Physical properties of Boc-N-Me-D-Val-OH: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.76; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 59.95 cm³; (15)Molar Volume: 216.2 cm³; (16)Polarizability: 23.76×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 62.04 kJ/mol; (19)Vapour Pressure: 5.74E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)[C@@H](C(=O)O)C(C)C
(2)InChI: InChI=1/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m1/s1
(3)InChIKey: XPUAXAVJMJDPDH-MRVPVSSYBU
(4)Std. InChI: InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m1/s1
(5)Std. InChIKey: XPUAXAVJMJDPDH-MRVPVSSYSA-N

Product Name

BOC-D-MEVAL-OH

Boc-N-Me-D-Val-OH Specification

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