Home Carboxys 1,6-Diazaspiro[3.5]nonane-6-carboxylic acid, phenylmethyl ester, ethanedioate (2:1)

1,6-Diazaspiro[3.5]nonane-6-carboxylic acid, phenylmethyl ester, ethanedioate (2:1)

CAS No.:
1788054-73-8
Catalog Number:
AG0026D7
Molecular Formula:
C32H42N4O8
Molecular Weight:
610.6979
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Product Description
Catalog Number:
AG0026D7
Chemical Name:
1,6-Diazaspiro[3.5]nonane-6-carboxylic acid, phenylmethyl ester, ethanedioate (2:1)
CAS Number:
1788054-73-8
Molecular Formula:
C32H42N4O8
Molecular Weight:
610.6979
IUPAC Name:
benzyl 1,8-diazaspiro[3.5]nonane-8-carboxylate;oxalic acid
InChI:
InChI=1S/2C15H20N2O2.C2H2O4/c2*18-14(19-11-13-5-2-1-3-6-13)17-10-4-7-15(12-17)8-9-16-15;3-1(4)2(5)6/h2*1-3,5-6,16H,4,7-12H2;(H,3,4)(H,5,6)
InChI Key:
YPXBEQGVVHOQHW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCN2)OCc1ccccc1.O=C(N1CCCC2(C1)CCN2)OCc1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.3g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
610.708g/mol
Monoisotopic Mass:
610.3g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties