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7298-84-2

Basic Information
CAS No.: 7298-84-2
Name: L-LEUCYL-L-ALANINE
Article Data: 13
Molecular Structure:
Molecular Structure of 7298-84-2 (L-LEUCYL-L-ALANINE)
Formula: C9H18N2O3
Molecular Weight: 202.254
Synonyms: Alanine,N-L-leucyl-, L- (7CI,8CI);Alanine, N-leucyl- (6CI);L-Alanine, N-L-leucyl-;1970: PN: EP2071334 SEQID: 2077 claimed protein;1970: PN: WO2009077864 SEQID:2077 claimed protein;1: PN: US20090239809 SEQID: 1 claimed protein;L-Leucyl-L-alanine;NSC 89180;H-Leu-Ala-OH;
EINECS: 230-737-5
Density: 1.108 g/cm3
Melting Point: 255-256 °C (decomp)
Boiling Point: 409.7 °C at 760 mmHg
Flash Point: 201.6 °C
Appearance: white powder
PSA: 92.42000
LogP: 1.04030
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Specification

This chemical is called L-Alanine, L-leucyl-, and its systematic name is L-leucyl-L-alanine. With the molecular formula of C9H18N2O3, its molecular weight is 202.25. The CAS registry number of this chemical is 7298-84-2. Additionally, its product categories are Biochemistry; Oligopeptides; Peptide Synthesis. It shoud be stored at the temperature of 2-8°C.

Other characteristics of the L-Alanine, L-leucyl- can be summarised as followings: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -2.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 52.34 cm3; (15)Molar Volume: 182.4 cm3; (16)Polarizability: 20.75×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 201.6 °C; (20)Enthalpy of Vaporization: 72.63 kJ/mol; (21)Boiling Point: 409.7 °C at 760 mmHg; (22)Vapour Pressure: 7.34E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N[C@H](C(=O)O)C)[C@@H](N)CC(C)C
2.InChI: InChI=1/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
3.InChIKey: HSQGMTRYSIHDAC-BQBZGAKWBA