Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
BOC-D-Leucinemonohydrate |
EINECS | 1312995-182-4 |
CAS No. | 16937-99-8 | Density | 1.061 g/cm3 |
PSA | 84.86000 | LogP | 2.33700 |
Solubility | N/A | Melting Point |
85-87 °C |
Formula | C11H21NO4 | Boiling Point | 356 °C at 760 mmHg |
Molecular Weight | 231.292 | Flash Point | 169.1 °C |
Transport Information | N/A | Appearance | white fine crystals |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Leucine,N-carboxy-, N-tert-butyl ester, D- (8CI);(R)-2-(tert-Butoxycarbonylamino)-4-methylpentanoic acid;N-Boc-D-leucine; |
Article Data | 5 |
The D-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 16937-99-8, is also known as N-(tert-Butoxycarbonyl)-D-leucine monohydrate. It belongs to the product categories of Amino Acids; Leucine [Leu, L]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. This chemical's molecular formula is C11H23NO5 and molecular weight is 249.30. What's more, its systematic name is called N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-leucine hydrate (1:1). It should be stored in a dry and well-ventilated place. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about D-Leucine,N-[(1,1-dimethylethoxy)carbonyl]- are: (1)ACD/LogP: 2.511; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.60; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.87; (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: 55.84 Å2; (13)Flash Point: 169.1 °C; (14)Enthalpy of Vaporization: 66.05 kJ/mol; (15)Boiling Point: 356 °C at 760 mmHg; (16)Vapour Pressure: 4.98E-06 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)CC(C)C.O
(2) InChI: InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m1./s1
(3) InChIKey: URQQEIOTRWJXBA-DDWIOCJRSA-N