2-Indanamine, hydrochloride

CAS Number: 2338-18-3
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NC(C1)Cc2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H11N
Molecular Weight
133.193
Drug-likeness
-1.1983
CAS
2338-18-3
InChI key
XEHNLVMHWYPNEQ-UHFFFAOYSA-N
SMILES
NC(C1)Cc2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 2338-18-3
Molecule Name 2-Indanamine, hydrochloride
Molecular Formula HCl.C9H11N
SMILES NC(C1)Cc2c1cccc2.Cl
InChI InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
InChI Key XEHNLVMHWYPNEQ-UHFFFAOYSA-N
CanonicalSyTyLFy f3275ac9ea1c2f5d
TotalMolweight 169.654
Molecular Weight 133.193
MonoisotopicMass 133.089149
CLogP 1.2245
CLogS -2.115
H Acceptors 1
H Donors 1
TotalSurfaceArea 108.3
Relative PSA 0.141
PolarSurfaceArea 26.02
Drug-likeness -1.1983
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.67346
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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