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1041026-71-4 | tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)
CAS No: 1041026-71-4 Catalog No: AG00380O MDL No:MFCD12404932
Product Description
Catalog Number:
AG00380O
Chemical Name:
tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)
CAS Number:
1041026-71-4
Molecular Formula:
C22H38N4O8
Molecular Weight:
486.5591
MDL Number:
MFCD12404932
IUPAC Name:
tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid
InChI:
InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
PYRAMVPOMDHTNX-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CNC2)OC(C)(C)C.O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.269g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
486.566g/mol
Monoisotopic Mass:
486.269g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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