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1251005-45-4 | 1,6-Diazaspiro[3.5]nonane-1-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1251005-45-4 Catalog No: AG000N5Q MDL No:MFCD14581198
Product Description
Catalog Number:
AG000N5Q
Chemical Name:
1,6-Diazaspiro[3.5]nonane-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1251005-45-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD14581198
IUPAC Name:
tert-butyl 1,8-diazaspiro[3.5]nonane-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-6-12(14)5-4-7-13-9-12/h13H,4-9H2,1-3H3
InChI Key:
CSDLLXOIJNMILT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC21CCCNC2)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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