Home Carboxys Benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)

Benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)

CAS No.:
1523606-36-1
Catalog Number:
AG00IKT0
Molecular Formula:
C28H34N4O8
Molecular Weight:
554.5916
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Product Description
Catalog Number:
AG00IKT0
Chemical Name:
Benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1)
CAS Number:
1523606-36-1
Molecular Formula:
C28H34N4O8
Molecular Weight:
554.5916
MDL Number:
MFCD27987999
IUPAC Name:
benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid
InChI:
InChI=1S/2C13H16N2O2.C2H2O4/c2*16-12(15-9-13(10-15)7-14-8-13)17-6-11-4-2-1-3-5-11;3-1(4)2(5)6/h2*1-5,14H,6-10H2;(H,3,4)(H,5,6)
InChI Key:
UPLPPLHPZAVKHX-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CNC2)OCc1ccccc1.O=C(N1CC2(C1)CNC2)OCc1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.238g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
554.6g/mol
Monoisotopic Mass:
554.238g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties