4-Methylcyclohexan-1-amine--hydrogen chloride (1/1)

CAS Number: 33483-66-8
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CC(CC1)CCC1N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H15N
Molecular Weight
113.203
Drug-likeness
-3.5155
CAS
33483-66-8
InChI key
GIRKJSRZELQHDX-UHFFFAOYSA-N
SMILES
CC(CC1)CCC1N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 33483-66-8
Molecule Name 4-Methylcyclohexan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H15N
SMILES CC(CC1)CCC1N.Cl
InChI InChI=1S/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H
InChI Key GIRKJSRZELQHDX-UHFFFAOYSA-N
CanonicalSyTyLFy 9115db98fcbffb02
TotalMolweight 149.664
Molecular Weight 113.203
MonoisotopicMass 113.120449
CLogP 1.0714
CLogS -1.987
H Acceptors 1
H Donors 1
TotalSurfaceArea 100.82
Relative PSA 0.15146
PolarSurfaceArea 26.02
Drug-likeness -3.5155
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.31407
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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