1-benzyl-1,6-diazaspiro[3.3]heptane; oxalic acid

1-benzyl-1,6-diazaspiro[3.3]heptane; oxalic acid

CAS: 1374659-14-9

Formula: C14H18N2O4

SMILES: OC(=O)C(O)=O.C(N1CCC11CNC1)C1=CC=CC=C1

IUPAC: 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)

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 278.308

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.126657068
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XNHQRXWMCTYMOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.81
Topological Polar Surface Area	15.27
Polarizability	23.01
Ring Count	3
Rotatable Bond Count	3

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