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114041-00-8

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Basic Information
CAS No.: 114041-00-8
Name: 4-(4-(DIHEXADECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE
Molecular Structure:
Molecular Structure of 114041-00-8 (4-(4-(DIHEXADECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE)
Formula: C46H79 N2 . I
Molecular Weight: 787.04
Synonyms: Pyridinium,4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl-, iodide (9CI); 4-[4-(Dihexadecylamino)styryl]-N-methylpyridiniumiodide; 4-[4-(Dihexadecylamino)styryl]methylpyridinium iodide
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 7.12000
LogP: 11.45450
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    4-(4-(DIHEXADECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:pharmaceutical intermediate Transportation:by air, by sea, by express

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Chemistry

Molecular Structure of 4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide (CAS No. 114041-00-8):

IUPAC Name: N,N-Dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide  
Molecular Formula: C46H79IN2
Molecular Weight: 787.037330 g/mol
CAS Registry Number: 114041-00-8
Polar Surface Area: 7.12 Å2
Structure Descriptors of 4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide (CAS No. 114041-00-8):
SMILES: [I-].c2(\C=C\c1cc[n+](cc1)C)ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc2
InChI: InChI=1/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1
InChIKey: YPGZWUVVEWKKDQ-REWHXWOFAY
Std. InChI: InChI=1S/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1
Std. InChIKey: YPGZWUVVEWKKDQ-UHFFFAOYSA-M

Specification

  4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide with cas registry number of 114041-00-8 is also called 4-(4-Dihexadecylaminostyryl)-N-methylpyridium ; 4-(2-(4-(Dihexadecylamino)phenyl)ethenyl)-1-methylpyridinium iodide ; 4-(4-Dihexadecylaminostyryl)N-methylpyridium, iodide ; DIASP ; DiA ; Pyridinium, 4-(2-(4-(dihexadecylamino)phenyl)ethenyl)-1-methyl-, iodide .