(1R,2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine--hydrogen chloride (1/1)

CAS Number: 73657-24-6
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CC(C)(C(CC1)C2)[C@]1(C)[C@H]2N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C10H19N
Molecular Weight
153.268
Drug-likeness
-6.4848
CAS
73657-24-6
InChI key
XVVITZVHMWAHIG-LEFOPYBQSA-N
SMILES
CC(C)(C(CC1)C2)[C@]1(C)[C@H]2N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73657-24-6
Molecule Name (1R,2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C10H19N
SMILES CC(C)(C(CC1)C2)[C@]1(C)[C@H]2N.Cl
InChI InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7?,8-,10-;/m0./s1
InChI Key XVVITZVHMWAHIG-LEFOPYBQSA-N
CanonicalSyTyLFy e01c32f9d4b14853
TotalMolweight 189.729
Molecular Weight 153.268
MonoisotopicMass 153.151749
CLogP 1.6378
CLogS -2.477
H Acceptors 1
H Donors 1
TotalSurfaceArea 118.9
Relative PSA 0.12843
PolarSurfaceArea 26.02
Drug-likeness -6.4848
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.45455
Molecular Complexity 0.79082
Fragments 2
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 3
Rings Closures 2
Small Rings 3
Sp3Atoms 11
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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