(1R)-1,2,3,4-Tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)

CAS Number: 32908-40-0
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N[C@H](CCC1)c2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C10H13N
Molecular Weight
147.22
Drug-likeness
-6.4937
CAS
32908-40-0
InChI key
DETWFIUAXSWCIK-HNCPQSOCSA-N
SMILES
N[C@H](CCC1)c2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 32908-40-0
Molecule Name (1R)-1,2,3,4-Tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C10H13N
SMILES N[C@H](CCC1)c2c1cccc2.Cl
InChI InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H/t10-;/m1./s1
InChI Key DETWFIUAXSWCIK-HNCPQSOCSA-N
CanonicalSyTyLFy 89d8eb5400ae576c
TotalMolweight 183.681
Molecular Weight 147.22
MonoisotopicMass 147.104799
CLogP 1.6926
CLogS -2.236
H Acceptors 1
H Donors 1
TotalSurfaceArea 122.06
Relative PSA 0.1251
PolarSurfaceArea 26.02
Drug-likeness -6.4937
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.12044
Molecular Complexity 0.70325
Fragments 2
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon this enantiomer

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