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20335-77-7 | 5-Amino-2-benzylisoquinolin-2-ium perchlorate
CAS No: 20335-77-7 Catalog No: AG01FAH5 MDL No:
Product Description
Catalog Number:
AG01FAH5
Chemical Name:
5-Amino-2-benzylisoquinolin-2-ium perchlorate
CAS Number:
20335-77-7
Molecular Formula:
C16H15ClN2O4
Molecular Weight:
334.7543
IUPAC Name:
2-benzylisoquinolin-2-ium-5-amine;perchlorate
InChI:
InChI=1S/C16H15N2.ClHO4/c17-16-8-4-7-14-12-18(10-9-15(14)16)11-13-5-2-1-3-6-13;2-1(3,4)5/h1-10,12H,11,17H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QOHAOEUNBISLFQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Nc1cccc2c1cc[n+](c2)Cc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.756g/mol
Monoisotopic Mass:
334.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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