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Name |
Boc-N-Me-D-Val-OH |
EINECS | N/A |
CAS No. | 89536-85-6 | Density | 1.069 g/cm3 |
PSA | 66.84000 | LogP | 1.96250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H21NO4 | Boiling Point | 322.4 °C at 760 mmHg |
Molecular Weight | 231.292 | Flash Point | 148.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-2-[(tert-Butoxycarbonyl)(methyl)amino]-3-methylbutanoicacid; |
Article Data | 11 |
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