Guanidine, N,N-dimethyl-, hydrochloride (1:1)

CAS Number: 22583-29-5
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CN(C)C(N)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H9N3
Molecular Weight
87.1255
Drug-likeness
1.3134
CAS
22583-29-5
InChI key
NQQVLNFSVPLPII-UHFFFAOYSA-N
SMILES
CN(C)C(N)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 22583-29-5
Molecule Name Guanidine, N,N-dimethyl-, hydrochloride (1:1)
Molecular Formula HCl.C3H9N3
SMILES CN(C)C(N)=N.Cl
InChI InChI=1S/C3H9N3.ClH/c1-6(2)3(4)5;/h1-2H3,(H3,4,5);1H
InChI Key NQQVLNFSVPLPII-UHFFFAOYSA-N
CanonicalSyTyLFy 37878838015c281
TotalMolweight 123.586
Molecular Weight 87.1255
MonoisotopicMass 87.079647
CLogP -1.1004
CLogS 0.468
H Acceptors 3
H Donors 2
TotalSurfaceArea 77.15
Relative PSA 0.44614
PolarSurfaceArea 53.11
Drug-likeness 1.3134
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.7836
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 2
Symmetricatoms 1
BasicNitrogens 1

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