2-Methoxy-N-methylethan-1-amine--hydrogen chloride (1/1)

CAS Number: 110802-06-7
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CNCCOC.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H11NO
Molecular Weight
89.1373
Drug-likeness
0.43596
CAS
110802-06-7
InChI key
WZTOGZXZQJFJNS-UHFFFAOYSA-N
SMILES
CNCCOC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 110802-06-7
Molecule Name 2-Methoxy-N-methylethan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H11NO
SMILES CNCCOC.Cl
InChI InChI=1S/C4H11NO.ClH/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H
InChI Key WZTOGZXZQJFJNS-UHFFFAOYSA-N
CanonicalSyTyLFy dca57a9aed6890c0
TotalMolweight 125.598
Molecular Weight 89.1373
MonoisotopicMass 89.084064
CLogP -0.4946
CLogS -0.09
H Acceptors 2
H Donors 1
TotalSurfaceArea 87
Relative PSA 0.24667
PolarSurfaceArea 21.26
Drug-likeness 0.43596
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71747
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Sp3Atoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 1

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