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219647-49-1

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Basic Information
CAS No.: 219647-49-1
Name: 9-(IODOMETHYL)-ACRIDINE
Molecular Structure:
Molecular Structure of 219647-49-1 (9-(IODOMETHYL)-ACRIDINE)
Formula: C14H10IN
Molecular Weight: 319.14
Synonyms: 9-(IODOMETHYL)-ACRIDINE
Density: 1.715g/cm3
Boiling Point: 440 °C at 760 mmHg
Flash Point: 219.9 °C
PSA: 12.89000
LogP: 4.32300
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    The Acridine,9-(iodomethyl)-, with CAS registry number 219647-49-1, has the systematic name of 9-(iodomethyl)acridine. Its molecular weight is 319.14. And the chemical formula of this chemical is C14H10IN. Physical properties of Acridine,9-(iodom

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Specification

The Acridine,9-(iodomethyl)-, with CAS registry number 219647-49-1, has the systematic name of 9-(iodomethyl)acridine. Its molecular weight is 319.14. And the chemical formula of this chemical is C14H10IN.

Physical properties of Acridine,9-(iodomethyl)-: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 783.85; (6)ACD/BCF (pH 7.4): 1155.58; (7)ACD/KOC (pH 5.5): 3669.72; (8)ACD/KOC (pH 7.4): 5410.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.778; (14)Molar Refractivity: 77.91 cm3; (15)Molar Volume: 186 cm3; (16)Polarizability: 30.88×10-24cm3; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.715 g/cm3; (19)Flash Point: 219.9 °C; (20)Enthalpy of Vaporization: 67.02 kJ/mol; (21)Boiling Point: 440 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc1c3c(nc2c1cccc2)cccc3
(2)InChI: InChI=1/C14H10IN/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H,9H2
(3)InChIKey: DXNLOPGUIKXFCT-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H10IN/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H,9H2
(5)Std. InChIKey: DXNLOPGUIKXFCT-UHFFFAOYSA-N