1-Aminoindane Hydrochloride

CAS Number: 70146-15-5
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NC(CC1)c2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H11N
Molecular Weight
133.193
Drug-likeness
-2.5037
CAS
70146-15-5
InChI key
RHAAGWRBIVCBSY-FVGYRXGTSA-N
SMILES
NC(CC1)c2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 70146-15-5
Molecule Name 1-Aminoindane Hydrochloride
Molecular Formula HCl.C9H11N
SMILES NC(CC1)c2c1cccc2.Cl
InChI InChI=1S/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H/t9-;/m0./s1
InChI Key RHAAGWRBIVCBSY-FVGYRXGTSA-N
CanonicalSyTyLFy cff5d3e77b504871
TotalMolweight 169.654
Molecular Weight 133.193
MonoisotopicMass 133.089149
CLogP 1.3506
CLogS -1.966
H Acceptors 1
H Donors 1
TotalSurfaceArea 108.3
Relative PSA 0.141
PolarSurfaceArea 26.02
Drug-likeness -2.5037
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.75684
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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