N-Methyl-1-(morpholin-2-yl)methanamine--hydrogen chloride (1/1)

CAS Number: 122894-43-3
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CNCC1OCCNC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H14N2O
Molecular Weight
130.19
Drug-likeness
2.0673
CAS
122894-43-3
InChI key
NANMGVHRPJHVTP-RGMNGODLSA-N
SMILES
CNCC1OCCNC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 122894-43-3
Molecule Name N-Methyl-1-(morpholin-2-yl)methanamine--hydrogen chloride (1/1)
Molecular Formula HCl.C6H14N2O
SMILES CNCC1OCCNC1.Cl
InChI InChI=1S/C6H14N2O.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-8H,2-5H2,1H3;1H/t6-;/m0./s1
InChI Key NANMGVHRPJHVTP-RGMNGODLSA-N
CanonicalSyTyLFy b03ae06effe6cb0b
TotalMolweight 166.651
Molecular Weight 130.19
MonoisotopicMass 130.110613
CLogP -1.0678
CLogS -0.099
H Acceptors 3
H Donors 2
TotalSurfaceArea 112.72
Relative PSA 0.29205
PolarSurfaceArea 33.29
Drug-likeness 2.0673
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.43697
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Amines 2
AlkylAmines 2
BasicNitrogens 2
StereoCon racemate

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