2,6-Dimethyloxan-4-amine--hydrogen chloride (1/1)

CAS Number: 33024-63-4
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CC(C1)OC(C)CC1N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H15NO
Molecular Weight
129.202
Drug-likeness
0.57992
CAS
33024-63-4
InChI key
MFPSBWNWEJBVKD-UHFFFAOYSA-N
SMILES
CC(C1)OC(C)CC1N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 33024-63-4
Molecule Name 2,6-Dimethyloxan-4-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H15NO
SMILES CC(C1)OC(C)CC1N.Cl
InChI InChI=1S/C7H15NO.ClH/c1-5-3-7(8)4-6(2)9-5;/h5-7H,3-4,8H2,1-2H3;1H
InChI Key MFPSBWNWEJBVKD-UHFFFAOYSA-N
CanonicalSyTyLFy 7c6adf1d20584ffa
TotalMolweight 165.663
Molecular Weight 129.202
MonoisotopicMass 129.115364
CLogP 0.2875
CLogS -1.694
H Acceptors 2
H Donors 1
TotalSurfaceArea 108.06
Relative PSA 0.23385
PolarSurfaceArea 35.25
Drug-likeness 0.57992
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.2788
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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