Pyridine, 2-(2-aminoethyl)-, hydrochloride

CAS Number: 24319-18-4
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NCCc1ncccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H10N2
Molecular Weight
122.17
Drug-likeness
-2.3195
CAS
24319-18-4
InChI key
CGTWPKMZGWJCGE-UHFFFAOYSA-N
SMILES
NCCc1ncccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 24319-18-4
Molecule Name Pyridine, 2-(2-aminoethyl)-, hydrochloride
Molecular Formula HCl.C7H10N2
SMILES NCCc1ncccc1.Cl
InChI InChI=1S/C7H10N2.ClH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5,8H2;1H
InChI Key CGTWPKMZGWJCGE-UHFFFAOYSA-N
CanonicalSyTyLFy f6b8aecca6039d7e
TotalMolweight 158.631
Molecular Weight 122.17
MonoisotopicMass 122.084398
CLogP 0.1477
CLogS -0.917
H Acceptors 2
H Donors 1
TotalSurfaceArea 108.06
Relative PSA 0.24283
PolarSurfaceArea 38.91
Drug-likeness -2.3195
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.48307
Molecular Complexity 0.65976
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 1

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