2,2-Dimethylpropanimidamide--hydrogen chloride (1/1)

CAS Number: 18202-73-8
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CC(C)(C)C(N)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H12N2
Molecular Weight
100.164
Drug-likeness
-10.664
CAS
18202-73-8
InChI key
ARDGQYVTLGUJII-UHFFFAOYSA-N
SMILES
CC(C)(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 18202-73-8
Molecule Name 2,2-Dimethylpropanimidamide--hydrogen chloride (1/1)
Molecular Formula HCl.C5H12N2
SMILES CC(C)(C)C(N)=N.Cl
InChI InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChI Key ARDGQYVTLGUJII-UHFFFAOYSA-N
CanonicalSyTyLFy 64b39971246b3cf9
TotalMolweight 136.625
Molecular Weight 100.164
MonoisotopicMass 100.100048
CLogP 0.1426
CLogS -0.322
H Acceptors 2
H Donors 2
TotalSurfaceArea 89.52
Relative PSA 0.34484
PolarSurfaceArea 49.87
Drug-likeness -10.664
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.70316
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
Symmetricatoms 2
BasicNitrogens 1

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