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Home > Other Heterocycles > 1523617-89-1
1523617-89-1 | 1-Phenyl-1,6-diazaspiro[3.3]heptane hemioxalate
CAS No: 1523617-89-1 Catalog No: AG00IKQG MDL No:
Product Description
Catalog Number:
AG00IKQG
Chemical Name:
1-Phenyl-1,6-diazaspiro[3.3]heptane hemioxalate
CAS Number:
1523617-89-1
Molecular Formula:
C24H30N4O4
Molecular Weight:
438.5194
IUPAC Name:
oxalic acid;1-phenyl-1,6-diazaspiro[3.3]heptane
InChI:
InChI=1S/2C11H14N2.C2H2O4/c2*1-2-4-10(5-3-1)13-7-6-11(13)8-12-9-11;3-1(4)2(5)6/h2*1-5,12H,6-9H2;(H,3,4)(H,5,6)
InChI Key:
LDWDRKRLNHBYGE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCC21CNC2.c1ccc(cc1)N1CCC21CNC2.OC(=O)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.227g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
438.528g/mol
Monoisotopic Mass:
438.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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