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89596-40-7

89596-40-7 | Acridinium, 3,6-diamino-10-(phenylmethyl)-, chloride

CAS No: 89596-40-7 Catalog No: AG003XJL MDL No:

Product Description

Catalog Number:
AG003XJL
Chemical Name:
Acridinium, 3,6-diamino-10-(phenylmethyl)-, chloride
CAS Number:
89596-40-7
Molecular Formula:
C20H18ClN3
Molecular Weight:
335.8300
IUPAC Name:
10-benzylacridin-10-ium-3,6-diamine;chloride
InChI:
InChI=1S/C20H17N3.ClH/c21-17-8-6-15-10-16-7-9-18(22)12-20(16)23(19(15)11-17)13-14-4-2-1-3-5-14;/h1-12H,13H2,(H3,21,22);1H
InChI Key:
POUKWKQWDWRNTL-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[n+](Cc1ccccc1)c1c(c2)ccc(c1)N.[Cl-]

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.119g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
335.835g/mol
Monoisotopic Mass:
335.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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