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PPA-904

CAS No.:
30189-85-6
Catalog Number:
AG01EOR7
Molecular Formula:
C28H42BrN3S
Molecular Weight:
532.6222
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
97%
1 week
United States
$390
- +
Product Description
Catalog Number:
AG01EOR7
Chemical Name:
PPA-904
CAS Number:
30189-85-6
Molecular Formula:
C28H42BrN3S
Molecular Weight:
532.6222
MDL Number:
MFCD31544380
IUPAC Name:
dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium;bromide
InChI:
InChI=1S/C28H42N3S.BrH/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4;/h13-16,21-22H,5-12,17-20H2,1-4H3;1H/q+1;/p-1
InChI Key:
LLMPBOPIZQTTLB-UHFFFAOYSA-M
SMILES:
CCCCN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(CCCC)CCCC)CCCC.[Br-]
Properties
Complexity:
634  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.228g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.629g/mol
Monoisotopic Mass:
531.228g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties