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Home > Other Heterocycles > 2059998-78-4
2059998-78-4 | 3-{spiro[2.5]octan-6-yl}aniline
CAS No: 2059998-78-4 Catalog No: AG01BY44 MDL No:MFCD30488427
Product Description
Catalog Number:
AG01BY44
Chemical Name:
3-{spiro[2.5]octan-6-yl}aniline
CAS Number:
2059998-78-4
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
MDL Number:
MFCD30488427
IUPAC Name:
3-spiro[2.5]octan-6-ylaniline
InChI:
InChI=1S/C14H19N/c15-13-3-1-2-12(10-13)11-4-6-14(7-5-11)8-9-14/h1-3,10-11H,4-9,15H2
InChI Key:
CLZIOBCSWRMRGB-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C1CCC2(CC1)CC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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