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

CAS Number: 19341-54-9
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CCNC(N)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H9N3
Molecular Weight
87.1255
Drug-likeness
1.381
CAS
19341-54-9
InChI key
GVSGVBVZXJOLDD-UHFFFAOYSA-N
SMILES
CCNC(N)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19341-54-9
Molecule Name N-Ethylguanidine--hydrogen chloride (1/1)
Molecular Formula HCl.C3H9N3
SMILES CCNC(N)=N.Cl
InChI InChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H
InChI Key GVSGVBVZXJOLDD-UHFFFAOYSA-N
CanonicalSyTyLFy 923ad04bf98a35eb
TotalMolweight 123.586
Molecular Weight 87.1255
MonoisotopicMass 87.079647
CLogP -0.9606
CLogS -0.194
H Acceptors 3
H Donors 3
TotalSurfaceArea 79.81
Relative PSA 0.53038
PolarSurfaceArea 61.9
Drug-likeness 1.381
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.75309
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 2
BasicNitrogens 1

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