Name: BIOCYTIN HYDRAZIDE HYDROCHLORIDE
SKU: 102743-85-1

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Basic Information

Molecular Structure:
CAS No.:	102743-85-1
Name:	BIOCYTIN HYDRAZIDE HYDROCHLORIDE

Formula:	C₁₆H₃₀N₆O₃S
Molecular Weight:	386.5128
Synonyms:	1H-Thieno[3,4-d]imidazole, L-lysine deriv.;Bicytin hydrazide;L-Lysine,N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-, hydrazide,[3aS-(3aa,4b,6aa)]-;
Density:	1.22 g/cm³
Boiling Point:	806.2 °C at 760 mmHg
Flash Point:	441.4 °C
Appearance:	WHITE TO OFF-WHITE POWDER
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	176.67000
LogP:	2.15590

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- China (Mainland)(12)
- United States(2)
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Specification

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^-24cm³; (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

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Specification