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7763-65-7

Basic Information
CAS No.: 7763-65-7
Name: H-HIS-LEU-OH
Article Data: 13
Molecular Structure:
Molecular Structure of 7763-65-7 (H-HIS-LEU-OH)
Formula: C12H20N4O3
Molecular Weight: 268.316
Synonyms: L-Leucine,N-L-histidyl-;Leucine, N-L-histidyl-, L- (8CI);Leucine, N-histidyl- (6CI);28: PN: WO2009143133 PAGE: 61 claimed protein;Histidylleucine;L-Histidyl-L-leucine;N-Histidylleucine;
Density: 1.249 g/cm3
Melting Point: 217-220℃
Boiling Point: 623 °C at 760 mmHg
Flash Point: 330.6 °C
PSA: 121.10000
LogP: 0.98620
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Specification

The L-Leucine, L-histidyl- is an organic compound with the formula C12H20N4O3. The IUPAC name of this chemical is 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid. With the CAS registry number 7763-65-7, it is also named as Histidylleucine. The product's categories are Dipeptides; Dipeptides and Tripeptides; Peptides.

Physical properties about L-Leucine, L-histidyl- are: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 67.67 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 69.35 cm3; (13)Molar Volume: 214.7 cm3; (14)Polarizability: 27.49×10-24cm3; (15)Surface Tension: 57.8 dyne/cm; (16)Density: 1.249 g/cm3; (17)Flash Point: 330.6 °C; (18)Enthalpy of Vaporization: 97.01 kJ/mol; (19)Boiling Point: 623 °C at 760 mmHg; (20)Vapour Pressure: 2.21E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(N)Cc1cncn1)CC(C)C
(2)InChI: InChI=1/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
(3)InChIKey: MMFKFJORZBJVNF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
(5)Std. InChIKey: MMFKFJORZBJVNF-UHFFFAOYSA-N