N,4,4,6-Tetramethyl-1,3-oxazinan-2-imine--hydrogen iodide (1/1)

CAS Number: 37723-85-6
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CC(CC(C)(C)N1)O/C1=N/C.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HI.C8H16N2O
Molecular Weight
156.228
Drug-likeness
2.5062
CAS
37723-85-6
InChI key
CPVAJBZRRNBWTJ-RGMNGODLSA-N
SMILES
CC(CC(C)(C)N1)O/C1=N/C.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 37723-85-6
Molecule Name N,4,4,6-Tetramethyl-1,3-oxazinan-2-imine--hydrogen iodide (1/1)
Molecular Formula HI.C8H16N2O
SMILES CC(CC(C)(C)N1)O/C1=N/C.I
InChI InChI=1S/C8H16N2O.HI/c1-6-5-8(2,3)10-7(9-4)11-6;/h6H,5H2,1-4H3,(H,9,10);1H/t6-;/m0./s1
InChI Key CPVAJBZRRNBWTJ-RGMNGODLSA-N
CanonicalSyTyLFy 4d0fdd80340521d0
TotalMolweight 284.136
Molecular Weight 156.228
MonoisotopicMass 156.126263
CLogP 1.0098
CLogS -2.103
H Acceptors 3
H Donors 1
TotalSurfaceArea 130.14
Relative PSA 0.25334
PolarSurfaceArea 33.62
Drug-likeness 2.5062
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.19419
Molecular Complexity 0.6868
Fragments 2
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 1
BasicNitrogens 1
StereoCon racemate

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