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4899-82-5

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Basic Information
CAS No.: 4899-82-5
Name: 4-[[4-(diethylamino) phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-2-Naphthalenecarboxamide
Molecular Structure:
Molecular Structure of 4899-82-5 (4-[[4-(diethylamino) phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-2-Naphthalenecarboxamide)
Formula: C22H23N3O2
Molecular Weight: 361.44
Synonyms: 2-Naphthamide,4-[[p-(diethylamino)phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-(7CI,8CI);
Density: 1.154 g/cm3
Boiling Point: 560.124 °C at 760 mmHg
Flash Point: 292.553 °C
PSA: 65.26000
LogP: 4.36260
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Specification

The 4-[[4-(Diethylamino)phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-2-naphthalenecarboxamide, with the CAS registry number 4899-82-5, is also known as 2-Naphthamide,4-[[p-(diethylamino)phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-(7CI,8CI). This chemical's molecular formula is C22H23N3O2 and molecular weight is 361.44. What's more, its systematic name is 4-{[4-(Diethylamino)phenyl]imino}-N-methyl-1-oxo-1,4-dihydro-2-naphthalenecarboxamide.

Physical properties of 4-[[4-(Diethylamino)phenyl]imino]-1,4-dihydro-N-methyl-1-oxo-2-naphthalenecarboxamide are: (1)ACD/LogP: 3.411; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 182.17; (6)ACD/BCF (pH 7.4): 229.61; (7)ACD/KOC (pH 5.5): 1351.10; (8)ACD/KOC (pH 7.4): 1702.91; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.77 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 107.503 cm3; (15)Molar Volume: 313.247 cm3; (16)Polarizability: 42.618×10-24cm3; (17)Surface Tension: 42.93 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 292.553 °C; (20)Enthalpy of Vaporization: 84.262 kJ/mol; (21)Boiling Point: 560.124 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)c1ccc(cc1)/N=C\2/C=C(C(=O)c3c2cccc3)C(=O)NC
(2)Std. InChI: InChI=1S/C22H23N3O2/c1-4-25(5-2)16-12-10-15(11-13-16)24-20-14-19(22(27)23-3)21(26)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3,(H,23,27)/b24-20-
(3)Std. InChIKey: MIEPHHHNLFMNBK-GFMRDNFCSA-N