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1160246-81-0 | 2,9-Diazaspiro[6.6]tridecane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1160246-81-0 Catalog No: AG000BEG MDL No:MFCD12198515
Product Description
Catalog Number:
AG000BEG
Chemical Name:
2,9-Diazaspiro[6.6]tridecane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1160246-81-0
Molecular Formula:
C16H30N2O2
Molecular Weight:
282.4216
MDL Number:
MFCD12198515
IUPAC Name:
tert-butyl 2,9-diazaspiro[6.6]tridecane-2-carboxylate
InChI:
InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-11-7-5-9-16(13-18)8-4-6-10-17-12-16/h17H,4-13H2,1-3H3
InChI Key:
WSKLLLAOAMNOTN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC2(C1)CCCCNC2)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.231g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.428g/mol
Monoisotopic Mass:
282.231g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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