N,2,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen chloride (1/1)

CAS Number: 32038-46-3
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CC(C)(CC(C)(C1)NC)c2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
HCl.C14H21N
Molecular Weight
203.328
Drug-likeness
-0.1042
CAS
32038-46-3
InChI key
CSYUKFVIWKJLIQ-PFEQFJNWSA-N
SMILES
CC(C)(CC(C)(C1)NC)c2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 32038-46-3
Molecule Name N,2,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C14H21N
SMILES CC(C)(CC(C)(C1)NC)c2c1cccc2.Cl
InChI InChI=1S/C14H21N.ClH/c1-13(2)10-14(3,15-4)9-11-7-5-6-8-12(11)13;/h5-8,15H,9-10H2,1-4H3;1H/t14-;/m1./s1
InChI Key CSYUKFVIWKJLIQ-PFEQFJNWSA-N
CanonicalSyTyLFy 6146da3dab883f93
TotalMolweight 239.789
Molecular Weight 203.328
MonoisotopicMass 203.167399
CLogP 2.667
CLogS -3.067
H Acceptors 1
H Donors 1
TotalSurfaceArea 168.6
Relative PSA 0.067972
PolarSurfaceArea 12.03
Drug-likeness -0.1042
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant low
Shape Index 0.53333
Molecula Flexibility 0.24459
Molecular Complexity 0.74577
Fragments 2
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 9
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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