1-(Pyridin-2-yl)cyclopropan-1-amine--hydrogen chloride (1/1)

CAS Number: 437985-36-9
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NC1(CC1)c1ncccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H10N2
Molecular Weight
134.181
Drug-likeness
-0.71444
CAS
437985-36-9
InChI key
LJFVLTGRTLCTEZ-UHFFFAOYSA-N
SMILES
NC1(CC1)c1ncccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 437985-36-9
Molecule Name 1-(Pyridin-2-yl)cyclopropan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H10N2
SMILES NC1(CC1)c1ncccc1.Cl
InChI InChI=1S/C8H10N2.ClH/c9-8(4-5-8)7-3-1-2-6-10-7;/h1-3,6H,4-5,9H2;1H
InChI Key LJFVLTGRTLCTEZ-UHFFFAOYSA-N
CanonicalSyTyLFy d65b6b4a5ee5860c
TotalMolweight 170.642
Molecular Weight 134.181
MonoisotopicMass 134.084398
CLogP 0.4133
CLogS -1.376
H Acceptors 2
H Donors 1
TotalSurfaceArea 104.97
Relative PSA 0.24998
PolarSurfaceArea 38.91
Drug-likeness -0.71444
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.43296
Molecular Complexity 0.6993
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 1
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 1

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