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| CAS No.: | 19461-38-2 |
|---|---|
| Name: | N-Glycyl-L-isoleucine |
| Molecular Structure: | |
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| Formula: | C8H16N2O3 |
| Molecular Weight: | 188.227 |
| Synonyms: | Isoleucine,N-glycyl-, L- (8CI);L-Isoleucine, N-glycyl-;Glycyl-L-isoleucine;Glycylisoleucine;N-Glycyl-L-isoleucine;H-Gly-Ile-OH; |
| EINECS: | 243-085-1 |
| Density: | 1.136 g/cm3 |
| Melting Point: | 248 °C |
| Boiling Point: | 410.4 °C at 760 mmHg |
| Flash Point: | 202 °C |
| Solubility: | 205 g/L (18.4 °C) in water |
| Appearance: | White crystalline powder |
| Safety: | 24/25 |
| PSA: | 92.42000 |
| LogP: | 0.65180 |
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Specification
The L-Isoleucine, glycyl-, with the CAS registry number 19461-38-2, is also known as N-Glycyl-L-isoleucine. It belongs to the product categories of Amino Acid Derivatives; Biochemistry; Oligopeptides; Peptide Synthesis and Peptide. Its EINECS registry number is 243-085-1. This chemical's molecular formula is C8H16N2O3 and molecular weight is 188.22. What's more, its IUPAC name is Glycyl-L-isoleucine and systematic name is called (2S,3S)-2-[(2-Aminoacetyl)amino]-3-methylpentanoic acid. It is white crystalline powder.
Physical properties about L-Isoleucine, glycyl- are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 5; (7) #H bond donors: 4; (8) #Freely Rotating Bonds: 6; (9) Polar Surface Area: 92.42 Å2; (10) Index of Refraction: 1.488; (11) Molar Refractivity: 47.75 cm3; (12) Molar Volume: 165.5 cm3; (13) Surface Tension: 45 dyne/cm; (14) Density: 1.136 g/cm3; (15) Flash Point: 202 °C; (16) Enthalpy of Vaporization: 72.71 kJ/mol; (17) Boiling Point: 410.4 °C at 760 mmHg; (18) Vapour Pressure: 6.97E-08 mmHg at 25 °C; (19) Melting Point: 248 °C.
When you are using this chemical, please be cautious about it. You should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@@H](C(C)CC)C(O)=O)CN
(2) InChI: InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5,7-/m0/s1
(3) InChIKey: KGVHCTWYMPWEGN-MSZQBOFLBH