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116207-36-4 | 1,4-Ethanoacridin-9-amine, 1,4-dihydro-
CAS No: 116207-36-4 Catalog No: AG000BX8 MDL No:
Product Description
Catalog Number:
AG000BX8
Chemical Name:
1,4-Ethanoacridin-9-amine, 1,4-dihydro-
CAS Number:
116207-36-4
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
3-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,13-hexaen-10-amine
InChI:
InChI=1S/C15H14N2/c16-14-11-3-1-2-4-12(11)17-15-10-7-5-9(6-8-10)13(14)15/h1-5,7,9-10H,6,8H2,(H2,16,17)
InChI Key:
UHMRSHXHRITBAU-UHFFFAOYSA-N
SMILES:
Nc1c2C3CCC(c2nc2c1cccc2)C=C3
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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