1-Methyl-2,3-dihydroquinolin-4(1H)-imine--hydrogen iodide (1/1)

CAS Number: 24667-93-4
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CN(CC1)c(cccc2)c2C1=N.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HI.C10H12N2
Molecular Weight
160.219
Drug-likeness
4.2531
CAS
24667-93-4
InChI key
NTFKQEJFBMEXGE-UHFFFAOYSA-N
SMILES
CN(CC1)c(cccc2)c2C1=N.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 24667-93-4
Molecule Name 1-Methyl-2,3-dihydroquinolin-4(1H)-imine--hydrogen iodide (1/1)
Molecular Formula HI.C10H12N2
SMILES CN(CC1)c(cccc2)c2C1=N.I
InChI InChI=1S/C10H12N2.HI/c1-12-7-6-9(11)8-4-2-3-5-10(8)12;/h2-5,11H,6-7H2,1H3;1H
InChI Key NTFKQEJFBMEXGE-UHFFFAOYSA-N
CanonicalSyTyLFy ecb5087946ba5782
TotalMolweight 288.127
Molecular Weight 160.219
MonoisotopicMass 160.100048
CLogP 1.0856
CLogS -1.632
H Acceptors 2
H Donors 1
TotalSurfaceArea 130.15
Relative PSA 0.14714
PolarSurfaceArea 27.09
Drug-likeness 4.2531
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.12114
Molecular Complexity 0.74239
Fragments 2
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Amines 1
Aromatic Amines 1
BasicNitrogens 1

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