200,000+ products from a single source!
sales@angenechem.com
92739-63-4 | 5,10,15,20-TETRAKIS-(N-METHYL-4-PYRIDYL)-21,23H-PORPHYRIN TETRACHLORIDE
CAS No: 92739-63-4 Catalog No: AG00GUT9 MDL No:MFCD09039048
Product Description
Catalog Number:
AG00GUT9
Chemical Name:
5,10,15,20-TETRAKIS-(N-METHYL-4-PYRIDYL)-21,23H-PORPHYRIN TETRACHLORIDE
CAS Number:
92739-63-4
Molecular Formula:
C44H38Cl4N8
Molecular Weight:
820.6381
MDL Number:
MFCD09039048
IUPAC Name:
5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin;tetrachloride
InChI:
InChI=1S/C44H37N8.4ClH/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;/h5-28H,1-4H3,(H,45,46,47,48);4*1H/q+3;;;;/p-3
InChI Key:
QAJDBICYDICFCM-UHFFFAOYSA-K
SMILES:
C[n+]1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cc[n+](cc1)C)/C=C3)\c1cc[n+](cc1)C)/[nH]2)/c1cc[n+](cc1)C.[Cl-].[Cl-].[Cl-].[Cl-]
Properties
Complexity:
965
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
820.194g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
820.644g/mol
Monoisotopic Mass:
818.197g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.