N-Methylbicyclo[2.2.1]heptan-2-amine--hydrogen chloride (1/1)

CAS Number: 90203-82-0
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CNC1C(CC2)CC2C1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H15N
Molecular Weight
125.214
Drug-likeness
0.54633
CAS
90203-82-0
InChI key
NGQMCJXJNPZWGI-UHFFFAOYSA-N
SMILES
CNC1C(CC2)CC2C1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 90203-82-0
Molecule Name N-Methylbicyclo[2.2.1]heptan-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H15N
SMILES CNC1C(CC2)CC2C1.Cl
InChI InChI=1S/C8H15N.ClH/c1-9-8-5-6-2-3-7(8)4-6;/h6-9H,2-5H2,1H3;1H
InChI Key NGQMCJXJNPZWGI-UHFFFAOYSA-N
CanonicalSyTyLFy 57cf0f1a226ba539
TotalMolweight 161.675
Molecular Weight 125.214
MonoisotopicMass 125.120449
CLogP 1.057
CLogS -1.879
H Acceptors 1
H Donors 1
TotalSurfaceArea 102.76
Relative PSA 0.11152
PolarSurfaceArea 12.03
Drug-likeness 0.54633
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.23647
Molecular Complexity 0.67346
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 3
Rotatable Bond 1
Rings Closures 2
Small Rings 3
Sp3Atoms 9
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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