4,5-Dimethylpyridin-2-amine--hydrogen chloride (1/1)

CAS Number: 179555-16-9
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Cc1cc(N)ncc1C.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H10N2
Molecular Weight
122.17
Drug-likeness
-2
CAS
179555-16-9
InChI key
DEHOWYDYFWXTNL-UHFFFAOYSA-N
SMILES
Cc1cc(N)ncc1C.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 179555-16-9
Molecule Name 4,5-Dimethylpyridin-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H10N2
SMILES Cc1cc(N)ncc1C.Cl
InChI InChI=1S/C7H10N2.ClH/c1-5-3-7(8)9-4-6(5)2;/h3-4H,1-2H3,(H2,8,9);1H
InChI Key DEHOWYDYFWXTNL-UHFFFAOYSA-N
CanonicalSyTyLFy 178c6aa6cfc473d5
TotalMolweight 158.631
Molecular Weight 122.17
MonoisotopicMass 122.084398
CLogP 1.0206
CLogS -2.11
H Acceptors 2
H Donors 1
TotalSurfaceArea 105.06
Relative PSA 0.24976
PolarSurfaceArea 38.91
Drug-likeness -2
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecular Complexity 0.74893
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2
Aromatic Nitrogens 1
BasicNitrogens 1

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