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

CAS Number: 670253-51-7
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NCC(NC1CC1)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H10N2O
Molecular Weight
114.147
Drug-likeness
0.41575
CAS
670253-51-7
InChI key
DYXKHNOFSUODKN-UHFFFAOYSA-N
SMILES
NCC(NC1CC1)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 670253-51-7
Molecule Name N-Cyclopropylglycinamide--hydrogen chloride (1/1)
Molecular Formula HCl.C5H10N2O
SMILES NCC(NC1CC1)=O.Cl
InChI InChI=1S/C5H10N2O.ClH/c6-3-5(8)7-4-1-2-4;/h4H,1-3,6H2,(H,7,8);1H
InChI Key DYXKHNOFSUODKN-UHFFFAOYSA-N
CanonicalSyTyLFy a55bd8bf3a4c6a0b
TotalMolweight 150.608
Molecular Weight 114.147
MonoisotopicMass 114.079313
CLogP -1.1402
CLogS -0.784
H Acceptors 3
H Donors 2
TotalSurfaceArea 91.51
Relative PSA 0.4346
PolarSurfaceArea 55.12
Drug-likeness 0.41575
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.54028
Molecular Complexity 0.51986
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 5
Symmetricatoms 1
Amides 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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