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Home > Other Heterocycles > 1416354-39-6
1416354-39-6 | Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1416354-39-6 Catalog No: AG001GQ0 MDL No:MFCD22199990
Product Description
Catalog Number:
AG001GQ0
Chemical Name:
Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1416354-39-6
Molecular Formula:
C15H26N2O6
Molecular Weight:
330.3767
MDL Number:
MFCD22199990
IUPAC Name:
tert-butyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate;oxalic acid
InChI:
InChI=1S/C13H24N2O2.C2H2O4/c1-12(2,3)17-11(16)15-10-8-13(9-10)4-6-14-7-5-13;3-1(4)2(5)6/h10,14H,4-9H2,1-3H3,(H,15,16);(H,3,4)(H,5,6)
InChI Key:
ZGSSMILBHYINBB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.O=C(OC(C)(C)C)NC1CC2(C1)CCNCC2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
330.381g/mol
Monoisotopic Mass:
330.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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