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247208-98-6 | 1,4-Dioxaspiro[4.5]decan-8-amine, N-[(1S)-1-phenylethyl]-
CAS No: 247208-98-6 Catalog No: AG002P73 MDL No:
Product Description
Catalog Number:
AG002P73
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-amine, N-[(1S)-1-phenylethyl]-
CAS Number:
247208-98-6
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
N-[(1S)-1-phenylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
InChI:
InChI=1S/C16H23NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-16(10-8-15)18-11-12-19-16/h2-6,13,15,17H,7-12H2,1H3/t13-/m0/s1
InChI Key:
RLDOTEXAQXQZQL-ZDUSSCGKSA-N
SMILES:
C[C@@H](c1ccccc1)NC1CCC2(CC1)OCCO2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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