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1163729-53-0 | 6-Azaspiro[2.5]octane-6-carboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 1163729-53-0 Catalog No: AG000CC2 MDL No:MFCD12546358
Product Description
Catalog Number:
AG000CC2
Chemical Name:
6-Azaspiro[2.5]octane-6-carboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
1163729-53-0
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD12546358
IUPAC Name:
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-9,14H2,1-3H3
InChI Key:
KUFZKQLFEAITSM-UHFFFAOYSA-N
SMILES:
NCC1CC21CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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