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69409-02-5

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Basic Information
CAS No.: 69409-02-5
Name: N-[2-(Dimethylamino)ethyl]-3-(acetylamino)-1,8-naphthalenedicarbimide
Article Data: 5
Molecular Structure:
Molecular Structure of 69409-02-5 (N-[2-(Dimethylamino)ethyl]-3-(acetylamino)-1,8-naphthalenedicarbimide)
Formula: C18H19N3O3
Molecular Weight: 325.36
Synonyms: 2-[2-(Dimethylamino)ethyl]-5-(acetylamino)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione;5-(Acetylamino)-2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione;N-Acetylamonafide;
Density: 1.314 g/cm3
Melting Point: 210-212°C
Boiling Point: 570.339 °C at 760 mmHg
Flash Point: 298.73 °C
PSA: 74.90000
LogP: 2.12220
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  • N-Acetyl Amonafide

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    N-Acetyl Amonafide

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    N-Acetyl Amonafide

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Specification

The N-[2-(Dimethylamino)ethyl]-3-(acetylamino)-1,8-naphthalenedicarbimide, with the CAS registry number 69409-02-5, is also known as Acetamide, N-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-5-yl]-. This chemical's molecular formula is C18H19N3O3 and molecular weight is 325.36. What's more, its systematic name is called N-{2-[2-(Dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-5-yl}acetamide.

Physical properties about N-[2-(Dimethylamino)ethyl]-3-(acetylamino)-1,8-naphthalenedicarbimide are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -1; (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: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.72 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 92.071 cm3; (15)Molar Volume: 247.619 cm3; (16)Surface Tension: 61.135 dyne/cm; (17)Density: 1.314 g/cm3; (18)Flash Point: 298.73 °C; (19)Enthalpy of Vaporization: 85.546 kJ/mol; (20)Boiling Point: 570.339 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c3c(ccc1)cc(cc3C(=O)N2CCN(C)C)NC(=O)C
(2) InChI: InChI=1/C18H19N3O3/c1-11(22)19-13-9-12-5-4-6-14-16(12)15(10-13)18(24)21(17(14)23)8-7-20(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,22)
(3) InChIKey: VQQUFGOEIGXAOM-UHFFFAOYAQ