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1630906-45-4 | 1,6-Diazaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (2:1)
CAS No: 1630906-45-4 Catalog No: AG001TP6 MDL No:MFCD28166317
Product Description
Catalog Number:
AG001TP6
Chemical Name:
1,6-Diazaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (2:1)
CAS Number:
1630906-45-4
Molecular Formula:
C26H46N4O8
Molecular Weight:
542.6654
MDL Number:
MFCD28166317
IUPAC Name:
tert-butyl 1,8-diazaspiro[3.5]nonane-8-carboxylate;oxalic acid
InChI:
InChI=1S/2C12H22N2O2.C2H2O4/c2*1-11(2,3)16-10(15)14-8-4-5-12(9-14)6-7-13-12;3-1(4)2(5)6/h2*13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
WTODIOPHLRZZTM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCN2)OC(C)(C)C.O=C(N1CCCC2(C1)CCN2)OC(C)(C)C.OC(=O)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.332g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
542.674g/mol
Monoisotopic Mass:
542.332g/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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