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Home > Other Heterocycles > 1374659-14-9
1374659-14-9 | 1,6-Diazaspiro[3.3]heptane, 1-(phenylmethyl)-, ethanedioate (1:1)
CAS No: 1374659-14-9 Catalog No: AG0013BF MDL No:
Product Description
Catalog Number:
AG0013BF
Chemical Name:
1,6-Diazaspiro[3.3]heptane, 1-(phenylmethyl)-, ethanedioate (1:1)
CAS Number:
1374659-14-9
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
1-benzyl-1,6-diazaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/C12H16N2.C2H2O4/c1-2-4-11(5-3-1)8-14-7-6-12(14)9-13-10-12;3-1(4)2(5)6/h1-5,13H,6-10H2;(H,3,4)(H,5,6)
InChI Key:
XNHQRXWMCTYMOC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC21CNC2.OC(=O)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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