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The L-Lysine, N6-[5-[(3aS, 4S, 6aR)-Hexahydro-2-oxo-1H-thieno[3, 4-d]imidazol-4-yl]-1-oxopentyl]-, hydrazide with the CAS registry number 102743-85-1, is also known as Biocytin hydrazide. This chemical's molecular formula is C16H30N6O3S and molecular weight is 386.52. What's more, its IUPAC name is 5-[(3aS, 4S, 6aR)-2-Oxo-1, 3 ,3a ,4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazinyl-6-oxohexyl]pentanamide.
Physical properties about L-Lysine, N6-[5-[(3aS, 4S, 6aR)-Hexahydro-2-oxo-1H-thieno[3, 4-d]imidazol-4-yl]-1-oxopentyl]-, hydrazide are: (1)ACD/LogP: -2.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.98; (4)ACD/LogD (pH 7.4): -3.3; (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: 9; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 95.95 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 101.4 cm3; (15)Molar Volume: 316.7 cm3; (16)Polarizability: 40.19×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 441.4 °C; (20)Enthalpy of Vaporization: 117.22 kJ/mol; (21)Boiling Point: 806.2 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-26 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCC[C@@H](C(=O)NN)N
(2) InChI: InChI=1/C16H30N6O3S/c17-10(15(24)22-18)5-3-4-8-19-13(23)7-2-1-6-12-14-11(9-26-12)20-16(25)21-14/h10-12,14H,1-9,17-18H2,(H,19,23)(H,22,24)(H2,20,21,25)/t10-,11-,12-,14-/m0/s1
(3) InChIKey: XSXHTPJCSHZYFJ-MNXVOIDGBI