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91853-89-3

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Basic Information
CAS No.: 91853-89-3
Name: Biotinyl-6-aminoquinoline
Molecular Structure:
Molecular Structure of 91853-89-3 (Biotinyl-6-aminoquinoline)
Formula: C19H22N4O2S
Molecular Weight: 370.47
Synonyms: 1H-Thieno[3,4-d]imidazole-4-pentanamide,hexahydro-2-oxo-N-6-quinolinyl-, [3aS-(3aa,4b,6aa)]-;Biotinyl-6-aminoquinoline;
Density: 1.293 g/cm3
Boiling Point: 741.6 °C at 760 mmHg
Flash Point: 402.3 °C
PSA: 108.42000
LogP: 3.62970
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Specification

This chemical is called Biotinyl-6-aminoquinoline, and it can also be named as B-6-AQ. With the molecular formula of C19H22N4O2S, its molecular weight is 370.47. The CAS registry number of this chemical is 91853-89-3.

Other characteristics of the Biotinyl-6-aminoquinoline can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 12.34; (6)ACD/BCF (pH 7.4): 14.41; (7)ACD/KOC (pH 5.5): 201.04; (8)ACD/KOC (pH 7.4): 234.84; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 82.05 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 104.46 cm3; (15)Molar Volume: 286.3 cm3; (16)Polarizability: 41.41×10-24cm3; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 402.3 °C; (20)Enthalpy of Vaporization: 108.16 kJ/mol; (21)Boiling Point: 741.6 °C at 760 mmHg; (22)Vapour Pressure: 7.3E-22 mmHg at 25°C.

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)Nc4cc3cccnc3cc4
2.InChI: InChI=1/C19H22N4O2S/c24-17(21-13-7-8-14-12(10-13)4-3-9-20-14)6-2-1-5-16-18-15(11-26-16)22-19(25)23-18/h3-4,7-10,15-16,18H,1-2,5-6,11H2,(H,21,24)(H2,22,23,25)/t15-,16-,18-/m0/s1
3.InChIKey: LQDCDPSBDPBXMX-BQFCYCMXBF