N-Nonylguanidine--hydrogen iodide (1/1)

CAS Number: 63885-27-8
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CCCCCCCCCNC(N)=N.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HI.C10H23N3
Molecular Weight
185.314
Drug-likeness
-15.574
CAS
63885-27-8
InChI key
WHONGENYMMIHJN-UHFFFAOYSA-N
SMILES
CCCCCCCCCNC(N)=N.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 63885-27-8
Molecule Name N-Nonylguanidine--hydrogen iodide (1/1)
Molecular Formula HI.C10H23N3
SMILES CCCCCCCCCNC(N)=N.I
InChI InChI=1S/C10H23N3.HI/c1-2-3-4-5-6-7-8-9-13-10(11)12;/h2-9H2,1H3,(H4,11,12,13);1H
InChI Key WHONGENYMMIHJN-UHFFFAOYSA-N
CanonicalSyTyLFy 280c38699cdc6c9b
TotalMolweight 313.222
Molecular Weight 185.314
MonoisotopicMass 185.189197
CLogP 2.2202
CLogS -2.084
H Acceptors 3
H Donors 3
TotalSurfaceArea 176.13
Relative PSA 0.24033
PolarSurfaceArea 61.9
Drug-likeness -15.574
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.92308
Molecula Flexibility 0.61518
Molecular Complexity 0.34657
Fragments 2
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 8
Sp3Atoms 9
BasicNitrogens 1

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