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Home > Other Heterocycles > 2059999-40-3
2059999-40-3 | 2-{1,4-dioxaspiro[4.5]decan-8-yl}-5-methylaniline
CAS No: 2059999-40-3 Catalog No: AG01BY5Z MDL No:MFCD30488485
Product Description
Catalog Number:
AG01BY5Z
Chemical Name:
2-{1,4-dioxaspiro[4.5]decan-8-yl}-5-methylaniline
CAS Number:
2059999-40-3
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
MDL Number:
MFCD30488485
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylaniline
InChI:
InChI=1S/C15H21NO2/c1-11-2-3-13(14(16)10-11)12-4-6-15(7-5-12)17-8-9-18-15/h2-3,10,12H,4-9,16H2,1H3
InChI Key:
SRZPYQUYKPXHJS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)N)C1CCC2(CC1)OCCO2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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