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Dansylcadaverine

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Name

Dansylcadaverine

EINECS 233-326-9
CAS No. 10121-91-2 Density 1.19g/cm3
PSA 83.81000 LogP 4.48510
Solubility N/A Melting Point 137-140°C
Formula C17H25N3O2S Boiling Point 505.5°C at 760 mmHg
Molecular Weight 335.47 Flash Point 259.5°C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10121-91-2 (DANSYLCADAVERINE) Hazard Symbols IrritantXi
Synonyms

Dansylcadaverine;Monodansylcadaverine;N-(5-Aminopentyl)-5-dimethylamino-1-naphthalenesulfonamide;N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide;Monodansyl cadaverine;

Article Data 3

Dansylcadaverine Specification

The Dansylcadaverine, with the cas registry number 10121-91-2 and EINECS registry number 233-326-9, has the systematic name and IUPAC name of N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide. The molecular formula of the chemical is C17H25N3O2S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): 0.03; (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): 1.32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.24 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 96.69 cm3; (15)Molar Volume: 281.8 cm3; (16)Polarizability: 38.33×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 259.5 °C; (20)Enthalpy of Vaporization: 77.52 kJ/mol; (21)Boiling Point: 505.5 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1cccc2c1cccc2N(C)C)NCCCCCN
(2)InChI: InChI=1/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3
(3)InChIKey: MLEBFEHOJICQQS-UHFFFAOYAW

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