1,2-CYCLOHEXANEDIAMINE, (1R,2R)-REL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 37EKL250EE
EPA CompTox DTXSID60883654

Structure

InChI Key SSJXIUAHEKJCMH-PHDIDXHHSA-N
Smiles N[C@@H]1CCCC[C@H]1N;[Pt+4].[O-]C(=O)C([O-])=O.[H][C@@]1([NH-])CCCC[C@@]1([H])[NH-];[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4].N[C@@H]1CCCC[C@H]1N;[Cl-].[Cl-].[Cl-].[Cl-].[Pt].N[C@@H]1CCCC[C@H]1N.[H+].[H+].[H+].[H+]
InChI
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2
Molecular Weight 114.12
AlogP 0.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.04
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1121-22-8
NORMAN SUSDAT
FDA SRS 37EKL250EE
CONTENTS