1-Methoxymethanamine--hydrogen chloride (1/1)

CAS Number: 116430-68-3
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COCN.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C2H7NO
Molecular Weight
61.0836
Drug-likeness
-1.7412
CAS
116430-68-3
InChI key
RHVNHKWMQOUSLJ-UHFFFAOYSA-N
SMILES
COCN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 116430-68-3
Molecule Name 1-Methoxymethanamine--hydrogen chloride (1/1)
Molecular Formula HCl.C2H7NO
SMILES COCN.Cl
InChI InChI=1S/C2H7NO.ClH/c1-4-2-3;/h2-3H2,1H3;1H
InChI Key RHVNHKWMQOUSLJ-UHFFFAOYSA-N
CanonicalSyTyLFy cb1b8fb0c813aa7e
TotalMolweight 97.5445
Molecular Weight 61.0836
MonoisotopicMass 61.052764
CLogP -0.8267
CLogS -0.703
H Acceptors 2
H Donors 1
TotalSurfaceArea 58.04
Relative PSA 0.43539
PolarSurfaceArea 35.25
Drug-likeness -1.7412
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.76447
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
BasicNitrogens 1

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