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27710-82-3

27710-82-3 | Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide (1:1:1)

CAS No: 27710-82-3 Catalog No: AG002UJN MDL No:MFCD00077740

Product Description

Catalog Number:
AG002UJN
Chemical Name:
Phosphonium, [3-(dimethylamino)propyl]triphenyl-, bromide, hydrobromide (1:1:1)
CAS Number:
27710-82-3
Molecular Formula:
C23H28Br2NP
Molecular Weight:
509.2569
MDL Number:
MFCD00077740
IUPAC Name:
3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide
InChI:
InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1
InChI Key:
NEQVFHFOWYYPBS-UHFFFAOYSA-M
SMILES:
CN(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.Br.[Br-]
EC Number:
608-135-2

Properties

Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.031g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
509.266g/mol
Monoisotopic Mass:
507.033g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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