N'-Cyclohexyl-N,4-dimethylbenzene-1-carboximidamide--hydrogen iodide (1/1)

CAS Number: 73416-74-7
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Cc(cc1)ccc1/C(/NC)=N\C1CCCCC1.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HI.C15H22N2
Molecular Weight
230.354
Drug-likeness
-5.5208
CAS
73416-74-7
InChI key
IPFSSJODVIHPID-UHFFFAOYSA-N
SMILES
Cc(cc1)ccc1/C(/NC)=N\C1CCCCC1.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73416-74-7
Molecule Name N'-Cyclohexyl-N,4-dimethylbenzene-1-carboximidamide--hydrogen iodide (1/1)
Molecular Formula HI.C15H22N2
SMILES Cc(cc1)ccc1/C(/NC)=N\C1CCCCC1.I
InChI InChI=1S/C15H22N2.HI/c1-12-8-10-13(11-9-12)15(16-2)17-14-6-4-3-5-7-14;/h8-11,14H,3-7H2,1-2H3,(H,16,17);1H
InChI Key IPFSSJODVIHPID-UHFFFAOYSA-N
CanonicalSyTyLFy 94e62d0751758cc4
TotalMolweight 358.262
Molecular Weight 230.354
MonoisotopicMass 230.178298
CLogP 3.1244
CLogS -3.595
H Acceptors 2
H Donors 1
TotalSurfaceArea 200.01
Relative PSA 0.11484
PolarSurfaceArea 24.39
Drug-likeness -5.5208
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.64706
Molecula Flexibility 0.35884
Molecular Complexity 0.58959
Fragments 2
Non HAtoms 17
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 4
BasicNitrogens 1

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