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63905-98-6

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Basic Information
CAS No.: 63905-98-6
Name: 1-(diphenylmethyl)-4-pentylpyridinium bromide
Molecular Structure:
Molecular Structure of 63905-98-6 (1-(diphenylmethyl)-4-pentylpyridinium bromide)
Formula: C23H26 N . Br
Molecular Weight: 396.37
Synonyms: 1-Diphenylmethyl-4-pentylpyridiniumbromide (6CI); Pyridinium, 1-(diphenylmethyl)-4-pentyl-, bromide (9CI)
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and Br−.
PSA: 3.88000
LogP: 2.34850
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  • Pyridinium,1-(diphenylmethyl)-4-pentyl-, bromide (1:1)

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    Pyridinium,1-(diphenylmethyl)-4-pentyl-, bromide (1:1)

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Chemistry

Product Name: 4-Amyl-N-benzohydrylpyridinium bromide (CAS NO.63905-98-6)


Molecular Formula: C23H26BrN
Molecular Weight: 396.3632g/mol
Mol File: 63905-98-6.mol
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 4-Amyl-N-benzohydrylpyridinium bromide (CAS NO.63905-98-6):
  IUPAC Name: 1-Benzhydryl-4-pentylpyridin-1-ium bromide
  Canonical SMILES: CCCCCC1=CC=[N+](C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
  InChI: InChI=1S/C23H26N.BrH/c1-2-3-6-11-20-16-18-24(19-17-20)23(21-12-7-4-8-13-21)22-14-9-5-10-15-22;/h4-5,7-10,12-19,23H,2-3,6,11H2,1H3;1H/q+1;/p-1 
  InChIKey: QDADJNJFPRLXTP-UHFFFAOYSA-M

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 30mg/kg (30mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
guinea pig LD50 subcutaneous 15mg/kg (15mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
mouse LD50 intraperitoneal 4500ug/kg (4.5mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
mouse LD50 intravenous 1300ug/kg (1.3mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
mouse LD50 oral 35mg/kg (35mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
mouse LD50 subcutaneous 1600ug/kg (1.6mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
rabbit LD50 intravenous 10mg/kg (10mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
rabbit LD50 subcutaneous 35mg/kg (35mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
rat LD50 intraperitoneal 8mg/kg (8mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.
rat LD50 subcutaneous 4mg/kg (4mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 9, Pg. 280, 1950.

Safety Profile

Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and Br−.

Specification

 4-Amyl-N-benzohydrylpyridinium bromide , its CAS NO. is 63905-98-6, the synonym is Pyridinium, N-(diphenylmethyl)-4-pentyl-, bromide .