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Home > Other Heterocycles > 1523606-27-0
1523606-27-0 | 2-Benzyl-2,6-diazaspiro[3.3]heptane hemioxalate
CAS No: 1523606-27-0 Catalog No: AG00HY0G MDL No:MFCD27987989
Product Description
Catalog Number:
AG00HY0G
Chemical Name:
2-Benzyl-2,6-diazaspiro[3.3]heptane hemioxalate
CAS Number:
1523606-27-0
Molecular Formula:
C26H34N4O4
Molecular Weight:
466.5726
MDL Number:
MFCD27987989
IUPAC Name:
2-benzyl-2,6-diazaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/2C12H16N2.C2H2O4/c2*1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12;3-1(4)2(5)6/h2*1-5,13H,6-10H2;(H,3,4)(H,5,6)
InChI Key:
LNQIBAFXMHMMLI-UHFFFAOYSA-N
SMILES:
N1CC2(C1)CN(C2)Cc1ccccc1.N1CC2(C1)CN(C2)Cc1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.258g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
466.582g/mol
Monoisotopic Mass:
466.258g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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