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1221818-08-1 | 2,6-Diazaspiro[4.5]decane-6-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS No: 1221818-08-1 Catalog No: AG0016VP MDL No:MFCD15071621
Product Description
Catalog Number:
AG0016VP
Chemical Name:
2,6-Diazaspiro[4.5]decane-6-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS Number:
1221818-08-1
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
MDL Number:
MFCD15071621
IUPAC Name:
tert-butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-9-5-4-6-13(15)7-8-14-10(13)16/h4-9H2,1-3H3,(H,14,16)
InChI Key:
DFRNFZFTUWABTE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC21CCNC2=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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