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1630907-08-2 | 2,6-Diazaspiro[4.5]decane-6-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (2:1)
CAS No: 1630907-08-2 Catalog No: AG001TQH MDL No:
Product Description
Catalog Number:
AG001TQH
Chemical Name:
2,6-Diazaspiro[4.5]decane-6-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (2:1)
CAS Number:
1630907-08-2
Molecular Formula:
C28H50N4O8
Molecular Weight:
570.7186
IUPAC Name:
tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate;oxalic acid
InChI:
InChI=1S/2C13H24N2O2.C2H2O4/c2*1-12(2,3)17-11(16)15-9-5-4-6-13(15)7-8-14-10-13;3-1(4)2(5)6/h2*14H,4-10H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
QMWAZGQMSXUQPA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC21CCNC2)OC(C)(C)C.O=C(N1CCCCC21CCNC2)OC(C)(C)C.OC(=O)C(=O)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.363g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
570.728g/mol
Monoisotopic Mass:
570.363g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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