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N-Glycyl-L-isoleucine

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Name

N-Glycyl-L-isoleucine

EINECS 243-085-1
CAS No. 19461-38-2 Density 1.136 g/cm3
PSA 92.42000 LogP 0.65180
Solubility 205 g/L (18.4 °C) in water Melting Point 248 °C
Formula C8H16N2O3 Boiling Point 410.4 °C at 760 mmHg
Molecular Weight 188.227 Flash Point 202 °C
Transport Information N/A Appearance White crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 19461-38-2 (N-Glycyl-L-isoleucine) Hazard Symbols N/A
Synonyms

Isoleucine,N-glycyl-, L- (8CI);L-Isoleucine, N-glycyl-;Glycyl-L-isoleucine;Glycylisoleucine;N-Glycyl-L-isoleucine;H-Gly-Ile-OH;

 

N-Glycyl-L-isoleucine 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

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