Perchloric acid--N,N,N',N'-tetramethylguanidine (1/1)

CAS Number: 69932-19-0
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CN(C)C(N(C)C)=N.OCl(=O)(=O)=O
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
HO4Cl.C5H13N3
Molecular Weight
115.179
Drug-likeness
-2.4194
CAS
69932-19-0
InChI key
DAKMOCZZXIXXKJ-UHFFFAOYSA-N
SMILES
CN(C)C(N(C)C)=N.OCl(=O)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 69932-19-0
Molecule Name Perchloric acid--N,N,N',N'-tetramethylguanidine (1/1)
Molecular Formula HO4Cl.C5H13N3
SMILES CN(C)C(N(C)C)=N.OCl(=O)(=O)=O
InChI InChI=1S/C5H13N3.ClHO4/c1-7(2)5(6)8(3)4;2-1(3,4)5/h6H,1-4H3;(H,2,3,4,5)
InChI Key DAKMOCZZXIXXKJ-UHFFFAOYSA-N
CanonicalSyTyLFy 7a8947aacced0f6e
TotalMolweight 215.636
Molecular Weight 115.179
MonoisotopicMass 115.110947
CLogP -0.4824
CLogS 0.914
H Acceptors 3
H Donors 1
TotalSurfaceArea 103.45
Relative PSA 0.21943
PolarSurfaceArea 30.33
Drug-likeness -2.4194
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.85139
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 4
Symmetricatoms 4
BasicNitrogens 1

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