Pyridine, 2-(2-(dimethylamino)ethyl)-, monohydrochloride

CAS Number: 25877-27-4
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CN(C)CCc1ncccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H14N2
Molecular Weight
150.224
Drug-likeness
3.2064
CAS
25877-27-4
InChI key
OGSNMRVJHLCISZ-UHFFFAOYSA-N
SMILES
CN(C)CCc1ncccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 25877-27-4
Molecule Name Pyridine, 2-(2-(dimethylamino)ethyl)-, monohydrochloride
Molecular Formula HCl.C9H14N2
SMILES CN(C)CCc1ncccc1.Cl
InChI InChI=1S/C9H14N2.ClH/c1-11(2)8-6-9-5-3-4-7-10-9;/h3-5,7H,6,8H2,1-2H3;1H
InChI Key OGSNMRVJHLCISZ-UHFFFAOYSA-N
CanonicalSyTyLFy edb9119d33f659d2
TotalMolweight 186.685
Molecular Weight 150.224
MonoisotopicMass 150.115698
CLogP 0.7657
CLogS -0.471
H Acceptors 2
TotalSurfaceArea 134.36
Relative PSA 0.10807
PolarSurfaceArea 16.13
Drug-likeness 3.2064
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.72727
Molecula Flexibility 0.58806
Molecular Complexity 0.58889
Fragments 2
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 1
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 1

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