4-Ethylpyridin-2-amine--hydrogen chloride (1/1)

CAS Number: 930600-83-2
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CCc1cc(N)ncc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H10N2
Molecular Weight
122.17
Drug-likeness
-2.223
CAS
930600-83-2
InChI key
YOCWPEZBBLPEKH-UHFFFAOYSA-N
SMILES
CCc1cc(N)ncc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 930600-83-2
Molecule Name 4-Ethylpyridin-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H10N2
SMILES CCc1cc(N)ncc1.Cl
InChI InChI=1S/C7H10N2.ClH/c1-2-6-3-4-9-7(8)5-6;/h3-5H,2H2,1H3,(H2,8,9);1H
InChI Key YOCWPEZBBLPEKH-UHFFFAOYSA-N
CanonicalSyTyLFy ede77e6a756720b2
TotalMolweight 158.631
Molecular Weight 122.17
MonoisotopicMass 122.084398
CLogP 1.0923
CLogS -1.925
H Acceptors 2
H Donors 1
TotalSurfaceArea 106.56
Relative PSA 0.24625
PolarSurfaceArea 38.91
Drug-likeness -2.223
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.36455
Molecular Complexity 0.7083
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2
Aromatic Nitrogens 1
BasicNitrogens 1

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