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1216936-29-6 | 1,7-Diazaspiro[3.5]nonane-1-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1216936-29-6 Catalog No: AG0015KE MDL No:MFCD14581196
Product Description
Catalog Number:
AG0015KE
Chemical Name:
1,7-Diazaspiro[3.5]nonane-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1216936-29-6
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD14581196
IUPAC Name:
tert-butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-6-12(14)4-7-13-8-5-12/h13H,4-9H2,1-3H3
InChI Key:
YQZFKXWWUMMHAH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC21CCNCC2)OC(C)(C)C
Properties
Complexity:
277
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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