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CAS No.: | 53308-95-5 |
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Name: | BOC-NVA-OH |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H19NO4 |
Molecular Weight: | 217.265 |
Synonyms: | (2S)-2-[(tert-Butyloxycarbonyl)amino]pentanoicacid;(S)-2-(((tert-Butoxy)carbonyl)amino)-pentanoic acid;(S)-N-Boc-norvaline;BOC-L-Norvaline;N-BOC-(S)-norvaline;N-tert-Butoxycarbonyl-L-norvaline;NSC186911;(S)-2-[(tert-Butoxycarbonyl)amino]pentanoic acid; |
EINECS: | 1533716-785-6 |
Density: | 1.081 g/cm3 |
Melting Point: | 43-47 °C |
Boiling Point: | 348.306 °C at 760 mmHg |
Flash Point: | 164.45 °C |
Appearance: | transparent solid |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 2.15530 |
The Boc-L-Norvaline, with the CAS registry number 53308-95-5, is also known as (S)-2-[(tert-Butoxycarbonyl)amino]pentanoic acid. It belongs to the product categories of Aliphatics; Carboxylic Acids; API intermediates; Amino Acids; Norvaline [Nva]; Peptide; Carboxylic Acids. Its EINECS number is 203-479-6. This chemical's molecular formula is C10H19NO4 and molecular weight is 217.26. What's more, its systematic name is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-norvaline. When using it, you must avoid contact with skin and eyes. This chemical should be sealed and stored at the temperature of 0 - 6 °C.
Physical properties of Boc-L-Norvaline are: (1)ACD/LogP: 2.163; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): -1.32; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.38; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.462 ; (14)Molar Refractivity: 55.236 cm3; (15)Molar Volume: 200.952 cm3; (16)Polarizability: 21.897×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 164.45 °C; (20)Enthalpy of Vaporization: 65.122 kJ/mol; (21)Boiling Point: 348.306 °C at 760 mmHg; (22)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(=O)O)CCC
(2)Std. InChI: InChI=1S/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
(3)Std. InChIKey: INWOAUUPYIXDHN-ZETCQYMHSA-N