N-Methylglycinamide--hydrogen chloride (1/1)

CAS Number: 49755-94-4
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CNC(CN)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H8N2O
Molecular Weight
88.1095
Drug-likeness
1.2325
CAS
49755-94-4
InChI key
ZYZNZBKTJDYJKQ-UHFFFAOYSA-N
SMILES
CNC(CN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 49755-94-4
Molecule Name N-Methylglycinamide--hydrogen chloride (1/1)
Molecular Formula HCl.C3H8N2O
SMILES CNC(CN)=O.Cl
InChI InChI=1S/C3H8N2O.ClH/c1-5-3(6)2-4;/h2,4H2,1H3,(H,5,6);1H
InChI Key ZYZNZBKTJDYJKQ-UHFFFAOYSA-N
CanonicalSyTyLFy dc802a865c54a4ac
TotalMolweight 124.57
Molecular Weight 88.1095
MonoisotopicMass 88.063663
CLogP -1.6699
CLogS -0.02
H Acceptors 3
H Donors 2
TotalSurfaceArea 77.25
Relative PSA 0.51482
PolarSurfaceArea 55.12
Drug-likeness 1.2325
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.55754
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 3
Amides 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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