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4-Aminopyrene

CAS No.:
17075-03-5
Catalog Number:
AG003KS1
Molecular Formula:
C16H11N
Molecular Weight:
217.2652
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Product Description
Catalog Number:
AG003KS1
Chemical Name:
4-Aminopyrene
CAS Number:
17075-03-5
Molecular Formula:
C16H11N
Molecular Weight:
217.2652
MDL Number:
MFCD00021660
IUPAC Name:
pyren-4-amine
InChI:
InChI=1S/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2
InChI Key:
AYBSKADMMKVOIV-UHFFFAOYSA-N
SMILES:
Nc1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.271g/mol
Monoisotopic Mass:
217.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties