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101398-43-0

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Basic Information
CAS No.: 101398-43-0
Name: N'-Acridin-9-yl-N,N-dimethylmethanimidamide; iodomethane
Molecular Structure:
Molecular Structure of 101398-43-0 (N'-Acridin-9-yl-N,N-dimethylmethanimidamide; iodomethane)
Formula: C17H18IN3
Molecular Weight: 391.25
Synonyms: N-(9-Acridinyl)-N,N-dimethylformamidine methyl iodine;Formamidine, N'-(9-acridinyl)-N,N-dimethyl-, compd with methyl iodine;
Boiling Point: 432.1 °C at 760 mmHg
Flash Point: 215.1 °C
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Specification

The IUPAC name of this chemical is N'-Acridin-9-yl-N,N-dimethylmethanimidamide; iodomethane. The CAS registry number is 101398-43-0. In addition, the molecular formula is C17H18IN3 and the molecular weight is 391.25. It should be stored in a cool and dry place.

Physical properties about N'-Acridin-9-yl-N,N-dimethylmethanimidamide; iodomethane are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26.76; (7)ACD/KOC (pH 5.5): 7.51; (8)ACD/KOC (pH 7.4): 257.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.49 Å2; (13)Flash Point: 215.1 °C; (14)Enthalpy of Vaporization: 68.79 kJ/mol; (15)Boiling Point: 432.1 °C at 760 mmHg; (16)Vapour Pressure: 1.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: IC.N(/c1c3c(nc2c1cccc2)cccc3)=C\N(C)C
(2)InChI: InChI=1/C16H15N3.CH3I/c1-19(2)11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16;1-2/h3-11H,1-2H3;1H3/b17-11+;
(3)InChIKey: KIDNYOJUXCYUPO-SJDTYFKWBN